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

C12H17N3O2 — CID 66489782

IUPAC2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCCCC2)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8-10(11(16)17)7-13-12(14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyFDMCIVKCWWYJJR-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.23
Rot. Bonds3

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

2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 66489782) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID66489782
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCCCC2)ncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8-10(11(16)17)7-13-12(14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyFDMCIVKCWWYJJR-UHFFFAOYSA-N
XLogP2.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14922219
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CID 66490403
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CID 3754696
CID 22308493
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CID 6487595
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CID 459813
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CID 826981
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CID 11608075
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CID 10104416
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid (CID 66489782) is 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NC2CCCCC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is FDMCIVKCWWYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-10(11(16)17)7-13-12(14-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 66489782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).