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

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Related Compounds

2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
CID 62359121
2-[cyclopropylmethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106535979
2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
CID 43656331
2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
CID 43656381
2-[cyclopropylmethyl-(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605859
2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
CID 107056300
2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66331762
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
2-[2-(dimethylamino)pyrimidin-4-yl]sulfanylacetic acid
CID 64831236
2-[(5-chloro-2-methoxypyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 80758602
2-[1-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]cyclohexyl]acetic acid
CID 65243266
4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010

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).