2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid

C15H18N4O2 — CID 122051516

IUPAC2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C15H18N4O2/c1-3-7-19(10-14(20)21)13-8-11(2)17-15(18-13)12-5-4-6-16-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,21)
InChIKeyOUMWPAUZSGTOOZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.15
Rot. Bonds6

About 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid

2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid (PubChem CID 122051516) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid
PubChem CID122051516
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C15H18N4O2/c1-3-7-19(10-14(20)21)13-8-11(2)17-15(18-13)12-5-4-6-16-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,21)
InChIKeyOUMWPAUZSGTOOZ-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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Related Compounds

2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 122051525
N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 59340680
2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064930
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
CID 94077060
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid (CID 122051516) is 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1cc(C)nc(-c2cccnc2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid?
The InChIKey is OUMWPAUZSGTOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-7-19(10-14(20)21)13-8-11(2)17-15(18-13)12-5-4-6-16-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid?
2-[(6-methyl-2-pyridin-3-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-3-ylpyrimidin-4-yl)-propylamino]acetic acid is sourced from PubChem (CID 122051516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).