N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide

C23H24N8OS — CID 123350740

IUPACN-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide
SMILESCNC(=O)c1ncnc2c(C(CNc3cc(-c4cnc(C)nc4)ncn3)CSC)cccc12
InChIInChI=1S/C23H24N8OS/c1-14-25-8-15(9-26-14)19-7-20(29-12-28-19)27-10-16(11-33-3)17-5-4-6-18-21(17)30-13-31-22(18)23(32)24-2/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,32)(H,27,28,29)
InChIKeyRXEAMDQULPMWJH-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.10
Rot. Bonds8

About N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide

N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide (PubChem CID 123350740) has the molecular formula C23H24N8OS and a molecular weight of 460.57 g/mol. Its IUPAC name is N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide
PubChem CID123350740
Molecular FormulaC23H24N8OS
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide
SMILESCNC(=O)c1ncnc2c(C(CNc3cc(-c4cnc(C)nc4)ncn3)CSC)cccc12
InChIInChI=1S/C23H24N8OS/c1-14-25-8-15(9-26-14)19-7-20(29-12-28-19)27-10-16(11-33-3)17-5-4-6-18-21(17)30-13-31-22(18)23(32)24-2/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,32)(H,27,28,29)
InChIKeyRXEAMDQULPMWJH-UHFFFAOYSA-N
XLogP3.10
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

8-[(3S)-4-[[6-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-3-methylbutan-2-yl]-N-methylquinazoline-4-carboxamide
CID 134289219
3-fluoro-8-[1-[[6-(furan-2-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]-N-methylquinoline-4-carboxamide
CID 123873085
N-methyl-8-[3-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylsulfanylpropyl]quinoline-4-carboxamide
CID 134289118
N-methyl-8-[1-methylsulfanyl-3-[[6-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 123910963
8-[1-[[6-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]-N-methylquinoline-4-carboxamide
CID 123261818
8-[1-[[6-(6-tert-butyl-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
CID 130428797
N,2-dimethyl-8-[4-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-methylsulfanylbutan-2-yl]quinoline-4-carboxamide
CID 123266333
8-[(2S)-1-[[6-[2-(dimethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982808
N-methyl-8-[(2S)-1-[[6-[2-(propan-2-yloxymethyl)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 160747089
8-[4-[[6-(6-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]-3-methylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 123788106
N-methyl-8-[(2S)-1-[[6-[5-methyl-6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 118982913
8-[2-[[6-[4-(1-methoxyethyl)phenyl]pyrimidin-4-yl]amino]-1-methylsulfanylethyl]-N-methylquinoline-4-carboxamide
CID 123691602

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide?
The IUPAC name of N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide (CID 123350740) is N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide.
What is the SMILES notation for N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide?
The canonical SMILES for N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide is CNC(=O)c1ncnc2c(C(CNc3cc(-c4cnc(C)nc4)ncn3)CSC)cccc12.
What is the InChIKey of N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide?
The InChIKey is RXEAMDQULPMWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8OS/c1-14-25-8-15(9-26-14)19-7-20(29-12-28-19)27-10-16(11-33-3)17-5-4-6-18-21(17)30-13-31-22(18)23(32)24-2/h4-9,12-13,16H,10-11H2,1-3H3,(H,24,32)(H,27,28,29).
What are the key properties of N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide?
N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-yl]quinazoline-4-carboxamide is sourced from PubChem (CID 123350740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).