2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one

C11H19N5O — CID 171384073

IUPAC2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one
SMILESCC1N(C)c2c(nc(N)n(C)c2=O)NC1(C)C
InChIInChI=1S/C11H19N5O/c1-6-11(2,3)14-8-7(15(6)4)9(17)16(5)10(12)13-8/h6,14H,1-5H3,(H2,12,13)
InChIKeySUSISQLRJLQJLM-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.39
Rot. Bonds

About 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one

2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one (PubChem CID 171384073) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one.

Molecular Properties

Compound Name2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one
PubChem CID171384073
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one
SMILESCC1N(C)c2c(nc(N)n(C)c2=O)NC1(C)C
InChIInChI=1S/C11H19N5O/c1-6-11(2,3)14-8-7(15(6)4)9(17)16(5)10(12)13-8/h6,14H,1-5H3,(H2,12,13)
InChIKeySUSISQLRJLQJLM-UHFFFAOYSA-N
XLogP0.39
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methyltetrahydropterin
CID 135443397
6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-Amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
CID 135436549
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-4(3H)-pteridinone
CID 135401455
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409922
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
(+/-)-6-Methyl-5,6,7,8-tetrahydropterine dihydrochloride
CID 135445757
6,6-Dimethyltetrahydropterin
CID 135537086
2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
5,6-Dimethyl-5,6,7,8-tetrahydropterin
CID 135554447

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one?
The IUPAC name of 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one (CID 171384073) is 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one.
What is the SMILES notation for 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one?
The canonical SMILES for 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one is CC1N(C)c2c(nc(N)n(C)c2=O)NC1(C)C.
What is the InChIKey of 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one?
The InChIKey is SUSISQLRJLQJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6-11(2,3)14-8-7(15(6)4)9(17)16(5)10(12)13-8/h6,14H,1-5H3,(H2,12,13).
What are the key properties of 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one?
2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one has a molecular weight of 237.31 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,6,7,7-pentamethyl-6,8-dihydropteridin-4-one is sourced from PubChem (CID 171384073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).