2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid

C14H16N4O2 — CID 82306341

IUPAC2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(NCc2cccnc2)cc(C(=O)O)n1
InChIInChI=1S/C14H16N4O2/c1-9(2)13-17-11(14(19)20)6-12(18-13)16-8-10-4-3-5-15-7-10/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyHDANELBUUXFRLP-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.31
Rot. Bonds5

About 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid

2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid (PubChem CID 82306341) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid
PubChem CID82306341
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(NCc2cccnc2)cc(C(=O)O)n1
InChIInChI=1S/C14H16N4O2/c1-9(2)13-17-11(14(19)20)6-12(18-13)16-8-10-4-3-5-15-7-10/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyHDANELBUUXFRLP-UHFFFAOYSA-N
XLogP2.31
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371012
azepan-1-yl-[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109370993
6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95454176
6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95462594
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
CID 113042074
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109370979

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid (CID 82306341) is 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid is CC(C)c1nc(NCc2cccnc2)cc(C(=O)O)n1.
What is the InChIKey of 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid?
The InChIKey is HDANELBUUXFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(2)13-17-11(14(19)20)6-12(18-13)16-8-10-4-3-5-15-7-10/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid?
2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82306341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).