2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C9H13N5O — CID 135406875

IUPAC2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(C1CC1)CN2
InChIInChI=1S/C9H13N5O/c10-9-13-7-6(8(15)14-9)12-5(3-11-7)4-1-2-4/h4-5,12H,1-3H2,(H4,10,11,13,14,15)
InChIKeyAJUVNQXFHMAJQV-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.03
Rot. Bonds1

About 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135406875) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135406875
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(C1CC1)CN2
InChIInChI=1S/C9H13N5O/c10-9-13-7-6(8(15)14-9)12-5(3-11-7)4-1-2-4/h4-5,12H,1-3H2,(H4,10,11,13,14,15)
InChIKeyAJUVNQXFHMAJQV-UHFFFAOYSA-N
XLogP-0.03
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135406875) is 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is Nc1nc2c(c(=O)[nH]1)NC(C1CC1)CN2.
What is the InChIKey of 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is AJUVNQXFHMAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-9-13-7-6(8(15)14-9)12-5(3-11-7)4-1-2-4/h4-5,12H,1-3H2,(H4,10,11,13,14,15).
What are the key properties of 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 207.24 g/mol, XLogP of -0.03, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135406875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).