2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid

C10H16N4O3 — CID 136958804

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(c1nc[nH]c(=O)c1N)C(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-4-14(10(2,3)9(16)17)7-6(11)8(15)13-5-12-7/h5H,4,11H2,1-3H3,(H,16,17)(H,12,13,15)
InChIKeyNYJUGZWYGIZWQJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.04
Rot. Bonds4

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid (PubChem CID 136958804) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid
PubChem CID136958804
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(c1nc[nH]c(=O)c1N)C(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-4-14(10(2,3)9(16)17)7-6(11)8(15)13-5-12-7/h5H,4,11H2,1-3H3,(H,16,17)(H,12,13,15)
InChIKeyNYJUGZWYGIZWQJ-UHFFFAOYSA-N
XLogP0.04
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959228
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 136959289
2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 136612221
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734034
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958333
2-[[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958419
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958431
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958443
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958450
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
CID 136958476

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid (CID 136958804) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid is CCN(c1nc[nH]c(=O)c1N)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is NYJUGZWYGIZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-14(10(2,3)9(16)17)7-6(11)8(15)13-5-12-7/h5H,4,11H2,1-3H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 136958804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).