2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one

C8H13N5O — CID 73346152

IUPAC2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
SMILESCC1CN(C)C2=NC(N)=NC(=O)C2N1
InChIInChI=1S/C8H13N5O/c1-4-3-13(2)6-5(10-4)7(14)12-8(9)11-6/h4-5,10H,3H2,1-2H3,(H2,9,12,14)
InChIKeyLGFJIGWZXJOMTQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.47
Rot. Bonds

About 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one

2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one (PubChem CID 73346152) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
PubChem CID73346152
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
SMILESCC1CN(C)C2=NC(N)=NC(=O)C2N1
InChIInChI=1S/C8H13N5O/c1-4-3-13(2)6-5(10-4)7(14)12-8(9)11-6/h4-5,10H,3H2,1-2H3,(H2,9,12,14)
InChIKeyLGFJIGWZXJOMTQ-UHFFFAOYSA-N
XLogP-1.47
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
6,6-Dimethyltetrahydro-pterin
CID 129692030
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
7,8-Dimethyl-6,7-dihydropterin
CID 129852420
5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
CID 80550817
2-(dimethylamino)-6,7-dimethyl-4a,5,6,7-tetrahydro-3H-pteridin-4-one
CID 145918486
2-amino-6-methyl-4a,5,6,7,8,8a-hexahydro-3H-pteridin-4-one
CID 45099864
2-amino-6,7-dimethyl-3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 53836789
2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one
CID 57262440
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
2-amino-5,6,6,7,7,8-hexamethyl-4aH-pteridin-4-one
CID 73456495
1,2-dimethyl-4-(piperazin-1-ylmethyl)-4H-imidazol-5-one
CID 141822431

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one (CID 73346152) is 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one is CC1CN(C)C2=NC(N)=NC(=O)C2N1.
What is the InChIKey of 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one?
The InChIKey is LGFJIGWZXJOMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-4-3-13(2)6-5(10-4)7(14)12-8(9)11-6/h4-5,10H,3H2,1-2H3,(H2,9,12,14).
What are the key properties of 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one?
2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one is sourced from PubChem (CID 73346152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).