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

C12H18N4O4 — CID 115972915

IUPAC2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
SMILESCc1cc(OC(C)C)nc(NCC(=O)NCC(=O)O)n1
InChIInChI=1S/C12H18N4O4/c1-7(2)20-10-4-8(3)15-12(16-10)14-5-9(17)13-6-11(18)19/h4,7H,5-6H2,1-3H3,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyBFOJUWBVRJPZKA-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.18
Rot. Bonds7

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

2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid (PubChem CID 115972915) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
PubChem CID115972915
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
SMILESCc1cc(OC(C)C)nc(NCC(=O)NCC(=O)O)n1
InChIInChI=1S/C12H18N4O4/c1-7(2)20-10-4-8(3)15-12(16-10)14-5-9(17)13-6-11(18)19/h4,7H,5-6H2,1-3H3,(H,13,17)(H,18,19)(H,14,15,16)
InChIKeyBFOJUWBVRJPZKA-UHFFFAOYSA-N
XLogP0.18
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-ethyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636791
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
CID 115973104
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethylacetamide
CID 43420785
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid (CID 115972915) is 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid is Cc1cc(OC(C)C)nc(NCC(=O)NCC(=O)O)n1.
What is the InChIKey of 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid?
The InChIKey is BFOJUWBVRJPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7(2)20-10-4-8(3)15-12(16-10)14-5-9(17)13-6-11(18)19/h4,7H,5-6H2,1-3H3,(H,13,17)(H,18,19)(H,14,15,16).
What are the key properties of 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 115972915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).