1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid

C10H15N3O2 — CID 163746915

IUPAC1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid
SMILESCC1N=CC=C(NC2(C(=O)O)CCC2)N1
InChIInChI=1S/C10H15N3O2/c1-7-11-6-3-8(12-7)13-10(9(14)15)4-2-5-10/h3,6-7,12-13H,2,4-5H2,1H3,(H,14,15)
InChIKeyLMQXBTLVSLMFAB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.44
Rot. Bonds3

About 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid

1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 163746915) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID163746915
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid
SMILESCC1N=CC=C(NC2(C(=O)O)CCC2)N1
InChIInChI=1S/C10H15N3O2/c1-7-11-6-3-8(12-7)13-10(9(14)15)4-2-5-10/h3,6-7,12-13H,2,4-5H2,1H3,(H,14,15)
InChIKeyLMQXBTLVSLMFAB-UHFFFAOYSA-N
XLogP0.44
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypyrimid-4-yl)valine
CID 13988999
4-[(1-Carboxy-2-methylpropyl)amino]-2(1H)-pyrimidinone
CID 591988
N-(1H-2-Oxo-pyrimidin-4-yl)-3-methyl-2-aminopentanoic acid
CID 591989
4-[(1-Carboxy-3-methylbutyl)amino]-2(1H)-pyrimidinone
CID 596394

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid (CID 163746915) is 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid is CC1N=CC=C(NC2(C(=O)O)CCC2)N1.
What is the InChIKey of 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is LMQXBTLVSLMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-6-3-8(12-7)13-10(9(14)15)4-2-5-10/h3,6-7,12-13H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid?
1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 163746915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).