2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one

C12H21N5O — CID 73456495

IUPAC2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one
SMILESCN1C2=NC(N)=NC(=O)C2N(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H21N5O/c1-11(2)12(3,4)17(6)8-7(16(11)5)9(18)15-10(13)14-8/h7H,1-6H3,(H2,13,15,18)
InChIKeyHPKZCMKKBKYULB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.04
Rot. Bonds

About 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one

2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one (PubChem CID 73456495) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one.

Molecular Properties

Compound Name2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one
PubChem CID73456495
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one
SMILESCN1C2=NC(N)=NC(=O)C2N(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H21N5O/c1-11(2)12(3,4)17(6)8-7(16(11)5)9(18)15-10(13)14-8/h7H,1-6H3,(H2,13,15,18)
InChIKeyHPKZCMKKBKYULB-UHFFFAOYSA-N
XLogP0.04
TPSA74.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 73346152
2-Amino-5,6,7,7-tetramethyl-4-oxo-2,3,4a,8-tetrahydropteridine-6-carboxamide
CID 20082250

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one?
The IUPAC name of 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one (CID 73456495) is 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one.
What is the SMILES notation for 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one?
The canonical SMILES for 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one is CN1C2=NC(N)=NC(=O)C2N(C)C(C)(C)C1(C)C.
What is the InChIKey of 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one?
The InChIKey is HPKZCMKKBKYULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-11(2)12(3,4)17(6)8-7(16(11)5)9(18)15-10(13)14-8/h7H,1-6H3,(H2,13,15,18).
What are the key properties of 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one?
2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one is sourced from PubChem (CID 73456495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).