2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid

C13H21N3O3 — CID 66331801

IUPAC2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1cc(OC(C)C)ncn1
InChIInChI=1S/C13H21N3O3/c1-5-10(4)16(7-13(17)18)11-6-12(15-8-14-11)19-9(2)3/h6,8-10H,5,7H2,1-4H3,(H,17,18)
InChIKeyGCXCUWVTPKXPHI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.95
Rot. Bonds7

About 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid

2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid (PubChem CID 66331801) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
PubChem CID66331801
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1cc(OC(C)C)ncn1
InChIInChI=1S/C13H21N3O3/c1-5-10(4)16(7-13(17)18)11-6-12(15-8-14-11)19-9(2)3/h6,8-10H,5,7H2,1-4H3,(H,17,18)
InChIKeyGCXCUWVTPKXPHI-UHFFFAOYSA-N
XLogP1.95
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid
CID 66333429
2-[(6-propan-2-yloxypyrimidin-4-yl)-prop-2-enylamino]acetic acid
CID 79263368
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728
2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
CID 104572083
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 61235699
2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid
CID 112634398
3-[ethyl-(6-propoxypyrimidin-4-yl)amino]butanoic acid
CID 66331970
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585
2-[ethyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66332576
N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333463
2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958534

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid (CID 66331801) is 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid is CCC(C)N(CC(=O)O)c1cc(OC(C)C)ncn1.
What is the InChIKey of 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid?
The InChIKey is GCXCUWVTPKXPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-10(4)16(7-13(17)18)11-6-12(15-8-14-11)19-9(2)3/h6,8-10H,5,7H2,1-4H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid?
2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66331801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).