2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide

C16H21N5O — CID 77092872

IUPAC2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCc2ccncc2)nc(N)n1
InChIInChI=1S/C16H21N5O/c1-11(2)13-10-14(21-16(17)20-13)15(22)19-7-3-4-12-5-8-18-9-6-12/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,22)(H2,17,20,21)
InChIKeyZYJLHNBUICCIME-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.94
Rot. Bonds6

About 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide

2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 77092872) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide
PubChem CID77092872
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCc2ccncc2)nc(N)n1
InChIInChI=1S/C16H21N5O/c1-11(2)13-10-14(21-16(17)20-13)15(22)19-7-3-4-12-5-8-18-9-6-12/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,22)(H2,17,20,21)
InChIKeyZYJLHNBUICCIME-UHFFFAOYSA-N
XLogP1.94
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131925868
2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 131925543
2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 91789629
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106
2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131895381
2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 137214508
2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide
CID 163310649
2-amino-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 82171955
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535
2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
CID 114220427
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide (CID 77092872) is 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCCCc2ccncc2)nc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is ZYJLHNBUICCIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11(2)13-10-14(21-16(17)20-13)15(22)19-7-3-4-12-5-8-18-9-6-12/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,22)(H2,17,20,21).
What are the key properties of 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide?
2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 77092872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).