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

C10H13N3O3S — CID 114574076

IUPAC2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESNc1c(SCC2(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O3S/c11-7-8(16)12-5-13-9(7)17-4-10(1-2-10)3-6(14)15/h5H,1-4,11H2,(H,14,15)(H,12,13,16)
InChIKeyFJPZREUBMLUSBX-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.70
Rot. Bonds5

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

2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 114574076) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID114574076
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESNc1c(SCC2(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O3S/c11-7-8(16)12-5-13-9(7)17-4-10(1-2-10)3-6(14)15/h5H,1-4,11H2,(H,14,15)(H,12,13,16)
InChIKeyFJPZREUBMLUSBX-UHFFFAOYSA-N
XLogP0.70
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid (CID 114574076) is 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid is Nc1c(SCC2(CC(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is FJPZREUBMLUSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c11-7-8(16)12-5-13-9(7)17-4-10(1-2-10)3-6(14)15/h5H,1-4,11H2,(H,14,15)(H,12,13,16).
What are the key properties of 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 255.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 114574076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).