1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

C10H13N3O2 — CID 130591579

IUPAC1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCN(c1ccncn1)C1(C(=O)O)CCC1
InChIInChI=1S/C10H13N3O2/c1-13(8-3-6-11-7-12-8)10(9(14)15)4-2-5-10/h3,6-7H,2,4-5H2,1H3,(H,14,15)
InChIKeyMDUVRIAAKKEDTN-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.92
Rot. Bonds3

About 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 130591579) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID130591579
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCN(c1ccncn1)C1(C(=O)O)CCC1
InChIInChI=1S/C10H13N3O2/c1-13(8-3-6-11-7-12-8)10(9(14)15)4-2-5-10/h3,6-7H,2,4-5H2,1H3,(H,14,15)
InChIKeyMDUVRIAAKKEDTN-UHFFFAOYSA-N
XLogP0.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(N-methylanilino)cyclopentane-1-carboxylic acid
CID 114988662
3-[methyl(pyrimidin-4-yl)amino]butanoic acid
CID 83619967
1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid
CID 114993767
2-[methyl(pyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 96594904
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
CID 23349868
1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 130575371
N-(2-chlorocyclohexyl)-N-methylpyrimidin-4-amine
CID 102637783
N-ethyl-N-pyrimidin-4-ylformamide
CID 54106352
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
CID 62332971
2-amino-N-methyl-N-pyrimidin-4-yl-1,3-thiazole-5-carboxamide
CID 87534445
3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid
CID 96614711

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (CID 130591579) is 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is CN(c1ccncn1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is MDUVRIAAKKEDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(8-3-6-11-7-12-8)10(9(14)15)4-2-5-10/h3,6-7H,2,4-5H2,1H3,(H,14,15).
What are the key properties of 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130591579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).