(6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C8H13N5O — CID 135789971

IUPAC(6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@@H]1Nc2c(nc(N)[nH]c2=O)N[C@@H]1C
InChIInChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)/t3-,4+/m0/s1
InChIKeyARHXUJTYUBUXBB-IUYQGCFVSA-N
MW195.23 g/mol
LogP-0.03
Rot. Bonds

About (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

(6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135789971) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135789971
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@@H]1Nc2c(nc(N)[nH]c2=O)N[C@@H]1C
InChIInChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)/t3-,4+/m0/s1
InChIKeyARHXUJTYUBUXBB-IUYQGCFVSA-N
XLogP-0.03
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135789971) is (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is C[C@@H]1Nc2c(nc(N)[nH]c2=O)N[C@@H]1C.
What is the InChIKey of (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is ARHXUJTYUBUXBB-IUYQGCFVSA-N. The full InChI is InChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)/t3-,4+/m0/s1.
What are the key properties of (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
(6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 195.23 g/mol, XLogP of -0.03, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135789971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).