2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one

C9H13N5O — CID 175812526

IUPAC2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)N(C1CC1)CCN2
InChIInChI=1S/C9H13N5O/c10-9-12-7-6(8(15)13-9)14(4-3-11-7)5-1-2-5/h5H,1-4H2,(H4,10,11,12,13,15)
InChIKeyIOVKWYCLAYZEQR-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.25
Rot. Bonds1

About 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one

2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one (PubChem CID 175812526) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one
PubChem CID175812526
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)N(C1CC1)CCN2
InChIInChI=1S/C9H13N5O/c10-9-12-7-6(8(15)13-9)14(4-3-11-7)5-1-2-5/h5H,1-4H2,(H4,10,11,12,13,15)
InChIKeyIOVKWYCLAYZEQR-UHFFFAOYSA-N
XLogP-0.25
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one (CID 175812526) is 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one is Nc1nc2c(c(=O)[nH]1)N(C1CC1)CCN2.
What is the InChIKey of 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one?
The InChIKey is IOVKWYCLAYZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-9-12-7-6(8(15)13-9)14(4-3-11-7)5-1-2-5/h5H,1-4H2,(H4,10,11,12,13,15).
What are the key properties of 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one?
2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one has a molecular weight of 207.24 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-3,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 175812526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).