(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea

C5H8N6O2 — CID 137352217

IUPAC(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea
SMILESNC(=O)Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C5H8N6O2/c6-2-1(9-5(8)13)3(12)11-4(7)10-2/h(H3,8,9,13)(H5,6,7,10,11,12)
InChIKeyHEYSCIPESABLKQ-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.58
Rot. Bonds1

About (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea

(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea (PubChem CID 137352217) has the molecular formula C5H8N6O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea.

Molecular Properties

Compound Name(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea
PubChem CID137352217
Molecular FormulaC5H8N6O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea
SMILESNC(=O)Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C5H8N6O2/c6-2-1(9-5(8)13)3(12)11-4(7)10-2/h(H3,8,9,13)(H5,6,7,10,11,12)
InChIKeyHEYSCIPESABLKQ-UHFFFAOYSA-N
XLogP-1.58
TPSA152.91 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea?
The IUPAC name of (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea (CID 137352217) is (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea.
What is the SMILES notation for (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea?
The canonical SMILES for (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea is NC(=O)Nc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea?
The InChIKey is HEYSCIPESABLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O2/c6-2-1(9-5(8)13)3(12)11-4(7)10-2/h(H3,8,9,13)(H5,6,7,10,11,12).
What are the key properties of (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea?
(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea has a molecular weight of 184.16 g/mol, XLogP of -1.58, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diamino-6-oxo-1H-pyrimidin-5-yl)urea is sourced from PubChem (CID 137352217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).