4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide

C14H17N5O — CID 83567494

IUPAC4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccncc2)nc1N
InChIInChI=1S/C14H17N5O/c1-9(2)7-18-14(20)11-8-17-13(19-12(11)15)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H2,15,17,19)
InChIKeyXHNZORFCXOYYCV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide

4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 83567494) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID83567494
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccncc2)nc1N
InChIInChI=1S/C14H17N5O/c1-9(2)7-18-14(20)11-8-17-13(19-12(11)15)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H2,15,17,19)
InChIKeyXHNZORFCXOYYCV-UHFFFAOYSA-N
XLogP1.51
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567488
4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 83567180
4-amino-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567501
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 83567087
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83574670
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
4-amino-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567475
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-amino-N-pentyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 83567464
5-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 21404719

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 83567494) is 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(-c2ccncc2)nc1N.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is XHNZORFCXOYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(2)7-18-14(20)11-8-17-13(19-12(11)15)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H2,15,17,19).
What are the key properties of 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide?
4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).