5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine

C23H29N7 — CID 133307215

IUPAC5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NC(C)CN2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C23H29N7/c1-17(16-29-12-14-30(15-13-29)21-6-4-5-9-25-21)26-22-18(2)19(3)27-23(28-22)20-7-10-24-11-8-20/h4-11,17H,12-16H2,1-3H3,(H,26,27,28)
InChIKeyOKCUCXIWJZRJBB-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.17
Rot. Bonds6

About 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine

5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 133307215) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID133307215
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC Name5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NC(C)CN2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C23H29N7/c1-17(16-29-12-14-30(15-13-29)21-6-4-5-9-25-21)26-22-18(2)19(3)27-23(28-22)20-7-10-24-11-8-20/h4-11,17H,12-16H2,1-3H3,(H,26,27,28)
InChIKeyOKCUCXIWJZRJBB-UHFFFAOYSA-N
XLogP3.17
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine with MolForge

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Related Compounds

5,6-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133295176
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1,3-dimethyl-4-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazol-5-amine
CID 133307279
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272
5-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307274
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
CID 167988142

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine (CID 133307215) is 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine is Cc1nc(-c2ccncc2)nc(NC(C)CN2CCN(c3ccccn3)CC2)c1C.
What is the InChIKey of 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is OKCUCXIWJZRJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-17(16-29-12-14-30(15-13-29)21-6-4-5-9-25-21)26-22-18(2)19(3)27-23(28-22)20-7-10-24-11-8-20/h4-11,17H,12-16H2,1-3H3,(H,26,27,28).
What are the key properties of 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine?
5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 403.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyridin-4-yl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 133307215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).