2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid

C12H17N3O2 — CID 83181809

IUPAC2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8-10(11(16)17)7-14-12(15-8)13-6-9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyRMLRFMDZRCEAMB-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.09
Rot. Bonds4

About 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid

2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181809) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181809
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCC2CCCC2)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8-10(11(16)17)7-14-12(15-8)13-6-9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyRMLRFMDZRCEAMB-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 114148420
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181617
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167892735
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83182057
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
1-[4-methyl-2-(oxan-3-ylmethylamino)pyrimidin-5-yl]ethanone
CID 135089444
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[(3,3-dimethyloxan-4-yl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167803533
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 103063365

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid (CID 83181809) is 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NCC2CCCC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is RMLRFMDZRCEAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-10(11(16)17)7-14-12(15-8)13-6-9-4-2-3-5-9/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).