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

C10H14N4O3 — CID 136958476

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
SMILESNc1c(N(CC(=O)O)CC2CC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14(4-7(15)16)3-6-1-2-6/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyZOHRCGSPEQCDMJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.35
Rot. Bonds5

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 136958476) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID136958476
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid
SMILESNc1c(N(CC(=O)O)CC2CC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14(4-7(15)16)3-6-1-2-6/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyZOHRCGSPEQCDMJ-UHFFFAOYSA-N
XLogP-0.35
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid with MolForge

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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-[(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-[(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]acetic acid
CID 136958443
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 136958450
2-[cyclopropylmethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958477
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]propanoic acid
CID 136958490
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 136958500
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopentylamino]acetic acid
CID 136958519
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-cyclopropylamino]acetic acid
CID 136958525

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid (CID 136958476) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid is Nc1c(N(CC(=O)O)CC2CC2)nc[nH]c1=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is ZOHRCGSPEQCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14(4-7(15)16)3-6-1-2-6/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 238.25 g/mol, XLogP of -0.35, 5 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)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 136958476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).