5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H23N3O2 — CID 107413670

IUPAC5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC1CCC(CNc2cnc(C(C)C)nc2C(=O)O)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)14-17-8-12(13(18-14)15(19)20)16-7-11-5-4-10(3)6-11/h8-11,16H,4-7H2,1-3H3,(H,19,20)
InChIKeyUJDBVTDFMXDKBR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.15
Rot. Bonds5

About 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 107413670) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID107413670
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC1CCC(CNc2cnc(C(C)C)nc2C(=O)O)C1
InChIInChI=1S/C15H23N3O2/c1-9(2)14-17-8-12(13(18-14)15(19)20)16-7-11-5-4-10(3)6-11/h8-11,16H,4-7H2,1-3H3,(H,19,20)
InChIKeyUJDBVTDFMXDKBR-UHFFFAOYSA-N
XLogP3.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 107413670) is 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC1CCC(CNc2cnc(C(C)C)nc2C(=O)O)C1.
What is the InChIKey of 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is UJDBVTDFMXDKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)14-17-8-12(13(18-14)15(19)20)16-7-11-5-4-10(3)6-11/h8-11,16H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107413670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).