2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid

C15H18N4O2 — CID 122051525

IUPAC2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(C)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-19(10-14(20)21)13-9-11(2)17-15(18-13)12-4-6-16-7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,20,21)
InChIKeyATHNYWZYHCDNCI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.15
Rot. Bonds6

About 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid

2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid (PubChem CID 122051525) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid
PubChem CID122051525
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(C)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-19(10-14(20)21)13-9-11(2)17-15(18-13)12-4-6-16-7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,20,21)
InChIKeyATHNYWZYHCDNCI-UHFFFAOYSA-N
XLogP2.15
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid (CID 122051525) is 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1cc(C)nc(-c2ccncc2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid?
The InChIKey is ATHNYWZYHCDNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-8-19(10-14(20)21)13-9-11(2)17-15(18-13)12-4-6-16-7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid?
2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid is sourced from PubChem (CID 122051525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).