8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide

C25H27N9O2 — CID 134289262

IUPAC8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4cnc(NCC(=O)N(C)C)nc4)ncn3)cccc12
InChIInChI=1S/C25H27N9O2/c1-26-24(36)19-8-10-28-23-16(5-4-6-18(19)23)7-9-27-21-11-20(32-15-33-21)17-12-29-25(30-13-17)31-14-22(35)34(2)3/h4-6,8,10-13,15H,7,9,14H2,1-3H3,(H,26,36)(H,27,32,33)(H,29,30,31)
InChIKeyUUKFCUQDZGPCCM-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.00
Rot. Bonds9

About 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide

8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide (PubChem CID 134289262) has the molecular formula C25H27N9O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
PubChem CID134289262
Molecular FormulaC25H27N9O2
Molecular Weight485.55 g/mol
Exact Mass485.23
IUPAC Name8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4cnc(NCC(=O)N(C)C)nc4)ncn3)cccc12
InChIInChI=1S/C25H27N9O2/c1-26-24(36)19-8-10-28-23-16(5-4-6-18(19)23)7-9-27-21-11-20(32-15-33-21)17-12-29-25(30-13-17)31-14-22(35)34(2)3/h4-6,8,10-13,15H,7,9,14H2,1-3H3,(H,26,36)(H,27,32,33)(H,29,30,31)
InChIKeyUUKFCUQDZGPCCM-UHFFFAOYSA-N
XLogP2.00
TPSA137.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide with MolForge

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Related Compounds

8-[(3S)-4-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]-3-methylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 144832038
8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134288939
N-methyl-8-[2-[[6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289217
8-[2-[[6-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428727
8-[2-[[6-[4-(cyclopropylcarbamoyl)phenyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289260
8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289270
N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289183
8-[2-[[6-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428802
N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289088
8-[2-[[6-[2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289174
N-methyl-8-[3-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylsulfanylpropyl]quinoline-4-carboxamide
CID 134289118
8-[(2S)-1-[[6-[2-(dimethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982808

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide (CID 134289262) is 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide is CNC(=O)c1ccnc2c(CCNc3cc(-c4cnc(NCC(=O)N(C)C)nc4)ncn3)cccc12.
What is the InChIKey of 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The InChIKey is UUKFCUQDZGPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2/c1-26-24(36)19-8-10-28-23-16(5-4-6-18(19)23)7-9-27-21-11-20(32-15-33-21)17-12-29-25(30-13-17)31-14-22(35)34(2)3/h4-6,8,10-13,15H,7,9,14H2,1-3H3,(H,26,36)(H,27,32,33)(H,29,30,31).
What are the key properties of 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 134289262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).