N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C23H27N5O — CID 109307573

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C23H27N5O/c1-15(2)18-6-5-7-19(16(3)4)21(18)28-22(29)20-10-13-25-23(27-20)26-14-17-8-11-24-12-9-17/h5-13,15-16H,14H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyPORWOMAYURWBEF-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.98
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307573) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307573
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C23H27N5O/c1-15(2)18-6-5-7-19(16(3)4)21(18)28-22(29)20-10-13-25-23(27-20)26-14-17-8-11-24-12-9-17/h5-13,15-16H,14H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyPORWOMAYURWBEF-UHFFFAOYSA-N
XLogP4.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305558
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665
N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307488
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963768
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969
2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305794

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109307573) is N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccnc(NCc2ccncc2)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is PORWOMAYURWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15(2)18-6-5-7-19(16(3)4)21(18)28-22(29)20-10-13-25-23(27-20)26-14-17-8-11-24-12-9-17/h5-13,15-16H,14H2,1-4H3,(H,28,29)(H,25,26,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).