2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride

C10H20ClN5O2 — CID 135401455

IUPAC2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride
SMILESCC1Nc2nc(N(C)C)[nH]c(=O)c2NC1C.Cl.O
InChIInChI=1S/C10H17N5O.ClH.H2O/c1-5-6(2)12-8-7(11-5)9(16)14-10(13-8)15(3)4;;/h5-6,11H,1-4H3,(H2,12,13,14,16);1H;1H2
InChIKeyICPKHRRTHDJIGC-UHFFFAOYSA-N
MW277.76 g/mol
LogP0.05
Rot. Bonds1

About 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride

2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride (PubChem CID 135401455) has the molecular formula C10H20ClN5O2 and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride
PubChem CID135401455
Molecular FormulaC10H20ClN5O2
Molecular Weight277.76 g/mol
Exact Mass277.13
IUPAC Name2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride
SMILESCC1Nc2nc(N(C)C)[nH]c(=O)c2NC1C.Cl.O
InChIInChI=1S/C10H17N5O.ClH.H2O/c1-5-6(2)12-8-7(11-5)9(16)14-10(13-8)15(3)4;;/h5-6,11H,1-4H3,(H2,12,13,14,16);1H;1H2
InChIKeyICPKHRRTHDJIGC-UHFFFAOYSA-N
XLogP0.05
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride?
The IUPAC name of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride (CID 135401455) is 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride is CC1Nc2nc(N(C)C)[nH]c(=O)c2NC1C.Cl.O.
What is the InChIKey of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride?
The InChIKey is ICPKHRRTHDJIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O.ClH.H2O/c1-5-6(2)12-8-7(11-5)9(16)14-10(13-8)15(3)4;;/h5-6,11H,1-4H3,(H2,12,13,14,16);1H;1H2.
What are the key properties of 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride?
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrate;hydrochloride is sourced from PubChem (CID 135401455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).