2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one

C9H13N5O — CID 168850093

IUPAC2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one
SMILESCC(C)C1=NC2C(=O)NC(N)=NC2N=C1
InChIInChI=1S/C9H13N5O/c1-4(2)5-3-11-7-6(12-5)8(15)14-9(10)13-7/h3-4,6-7H,1-2H3,(H3,10,13,14,15)
InChIKeyVUFCXSPGVSCDRJ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.69
Rot. Bonds1

About 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one

2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one (PubChem CID 168850093) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one
PubChem CID168850093
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one
SMILESCC(C)C1=NC2C(=O)NC(N)=NC2N=C1
InChIInChI=1S/C9H13N5O/c1-4(2)5-3-11-7-6(12-5)8(15)14-9(10)13-7/h3-4,6-7H,1-2H3,(H3,10,13,14,15)
InChIKeyVUFCXSPGVSCDRJ-UHFFFAOYSA-N
XLogP-0.69
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one (CID 168850093) is 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one is CC(C)C1=NC2C(=O)NC(N)=NC2N=C1.
What is the InChIKey of 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one?
The InChIKey is VUFCXSPGVSCDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-4(2)5-3-11-7-6(12-5)8(15)14-9(10)13-7/h3-4,6-7H,1-2H3,(H3,10,13,14,15).
What are the key properties of 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one?
2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one has a molecular weight of 207.24 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-4a,8a-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 168850093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).