2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid

C12H18N4O2 — CID 64831223

IUPAC2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
SMILESCN(C)c1nccc(N(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)12-13-6-5-10(14-12)16(8-11(17)18)7-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyRDMTZUFKRZEQLE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds6

About 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid

2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid (PubChem CID 64831223) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
PubChem CID64831223
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
SMILESCN(C)c1nccc(N(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)12-13-6-5-10(14-12)16(8-11(17)18)7-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyRDMTZUFKRZEQLE-UHFFFAOYSA-N
XLogP0.84
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid (CID 64831223) is 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid is CN(C)c1nccc(N(CC(=O)O)CC2CC2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
The InChIKey is RDMTZUFKRZEQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)12-13-6-5-10(14-12)16(8-11(17)18)7-9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 64831223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).