4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid

C10H15N3O3 — CID 43378933

IUPAC4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
SMILESCOc1ccnc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-13(7-3-4-9(14)15)10-11-6-5-8(12-10)16-2/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQCWWGVRFIPILDO-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.79
Rot. Bonds6

About 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid

4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid (PubChem CID 43378933) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
PubChem CID43378933
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
SMILESCOc1ccnc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C10H15N3O3/c1-13(7-3-4-9(14)15)10-11-6-5-8(12-10)16-2/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyQCWWGVRFIPILDO-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]propane-1,2-diol
CID 75398484
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
2-[(4-methoxypyrimidin-2-yl)-prop-2-ynylamino]acetic acid
CID 79274156

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid (CID 43378933) is 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid is COc1ccnc(N(C)CCCC(=O)O)n1.
What is the InChIKey of 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid?
The InChIKey is QCWWGVRFIPILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-13(7-3-4-9(14)15)10-11-6-5-8(12-10)16-2/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid?
4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid is sourced from PubChem (CID 43378933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).