[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea

C9H13N5O — CID 28820446

IUPAC[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea
SMILESNC(=O)Nc1ncc2c(n1)CC[C@@H](N)C2
InChIInChI=1S/C9H13N5O/c10-6-1-2-7-5(3-6)4-12-9(13-7)14-8(11)15/h4,6H,1-3,10H2,(H3,11,12,13,14,15)/t6-/m1/s1
InChIKeySEIGVCFDRGXPHL-ZCFIWIBFSA-N
MW207.24 g/mol
LogP-0.22
Rot. Bonds1

About [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea

[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea (PubChem CID 28820446) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea.

Molecular Properties

Compound Name[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea
PubChem CID28820446
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea
SMILESNC(=O)Nc1ncc2c(n1)CC[C@@H](N)C2
InChIInChI=1S/C9H13N5O/c10-6-1-2-7-5(3-6)4-12-9(13-7)14-8(11)15/h4,6H,1-3,10H2,(H3,11,12,13,14,15)/t6-/m1/s1
InChIKeySEIGVCFDRGXPHL-ZCFIWIBFSA-N
XLogP-0.22
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea?
The IUPAC name of [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea (CID 28820446) is [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea.
What is the SMILES notation for [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea?
The canonical SMILES for [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea is NC(=O)Nc1ncc2c(n1)CC[C@@H](N)C2.
What is the InChIKey of [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea?
The InChIKey is SEIGVCFDRGXPHL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N5O/c10-6-1-2-7-5(3-6)4-12-9(13-7)14-8(11)15/h4,6H,1-3,10H2,(H3,11,12,13,14,15)/t6-/m1/s1.
What are the key properties of [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea?
[(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea has a molecular weight of 207.24 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-amino-5,6,7,8-tetrahydroquinazolin-2-yl]urea is sourced from PubChem (CID 28820446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).