(5-amino-1-methyl-6-oxopyrimidin-2-yl)urea

C6H9N5O2 — CID 70595352

IUPAC(5-amino-1-methyl-6-oxopyrimidin-2-yl)urea
SMILESCn1c(NC(N)=O)ncc(N)c1=O
InChIInChI=1S/C6H9N5O2/c1-11-4(12)3(7)2-9-6(11)10-5(8)13/h2H,7H2,1H3,(H3,8,9,10,13)
InChIKeyKFVORDLWUIGXAX-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.15
Rot. Bonds1

About (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea

(5-amino-1-methyl-6-oxopyrimidin-2-yl)urea (PubChem CID 70595352) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea.

Molecular Properties

Compound Name(5-amino-1-methyl-6-oxopyrimidin-2-yl)urea
PubChem CID70595352
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name(5-amino-1-methyl-6-oxopyrimidin-2-yl)urea
SMILESCn1c(NC(N)=O)ncc(N)c1=O
InChIInChI=1S/C6H9N5O2/c1-11-4(12)3(7)2-9-6(11)10-5(8)13/h2H,7H2,1H3,(H3,8,9,10,13)
InChIKeyKFVORDLWUIGXAX-UHFFFAOYSA-N
XLogP-1.15
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea?
The IUPAC name of (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea (CID 70595352) is (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea.
What is the SMILES notation for (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea?
The canonical SMILES for (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea is Cn1c(NC(N)=O)ncc(N)c1=O.
What is the InChIKey of (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea?
The InChIKey is KFVORDLWUIGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-11-4(12)3(7)2-9-6(11)10-5(8)13/h2H,7H2,1H3,(H3,8,9,10,13).
What are the key properties of (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea?
(5-amino-1-methyl-6-oxopyrimidin-2-yl)urea has a molecular weight of 183.17 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methyl-6-oxopyrimidin-2-yl)urea is sourced from PubChem (CID 70595352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).