2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid

C13H19N3O3 — CID 66331762

IUPAC2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
SMILESCCCOc1cc(N(CC(=O)O)CC2CC2)ncn1
InChIInChI=1S/C13H19N3O3/c1-2-5-19-12-6-11(14-9-15-12)16(8-13(17)18)7-10-3-4-10/h6,9-10H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyNQHWQSHWDVEKHH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.57
Rot. Bonds8

About 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid

2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid (PubChem CID 66331762) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
PubChem CID66331762
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
SMILESCCCOc1cc(N(CC(=O)O)CC2CC2)ncn1
InChIInChI=1S/C13H19N3O3/c1-2-5-19-12-6-11(14-9-15-12)16(8-13(17)18)7-10-3-4-10/h6,9-10H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyNQHWQSHWDVEKHH-UHFFFAOYSA-N
XLogP1.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid (CID 66331762) is 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid is CCCOc1cc(N(CC(=O)O)CC2CC2)ncn1.
What is the InChIKey of 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
The InChIKey is NQHWQSHWDVEKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-5-19-12-6-11(14-9-15-12)16(8-13(17)18)7-10-3-4-10/h6,9-10H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid?
2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66331762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).