2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride

C10H18ClN5O2 — CID 135626456

IUPAC2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride
SMILESCOCC1Nc2c(nc(N)[nH]c2=O)NC1(C)C.Cl
InChIInChI=1S/C10H17N5O2.ClH/c1-10(2)5(4-17-3)12-6-7(15-10)13-9(11)14-8(6)16;/h5,12H,4H2,1-3H3,(H4,11,13,14,15,16);1H
InChIKeyZQEIQKPJROJWMU-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.40
Rot. Bonds2

About 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride

2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride (PubChem CID 135626456) has the molecular formula C10H18ClN5O2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride
PubChem CID135626456
Molecular FormulaC10H18ClN5O2
Molecular Weight275.74 g/mol
Exact Mass275.11
IUPAC Name2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride
SMILESCOCC1Nc2c(nc(N)[nH]c2=O)NC1(C)C.Cl
InChIInChI=1S/C10H17N5O2.ClH/c1-10(2)5(4-17-3)12-6-7(15-10)13-9(11)14-8(6)16;/h5,12H,4H2,1-3H3,(H4,11,13,14,15,16);1H
InChIKeyZQEIQKPJROJWMU-UHFFFAOYSA-N
XLogP0.40
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
CID 135626460
2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione
CID 135403820
2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135998865
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
2-amino-6-(butoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998862
(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
CID 136740661
2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674617
2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione
CID 136818761
2-amino-8-ethyl-6,7-bis(sulfanyl)-3,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-4-one
CID 136707557
[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-propanoyloxypropan-2-yl] propanoate
CID 135928958
2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
CID 137221313
3-ethyl-4-(methoxymethyl)-3-methylazetidin-2-one
CID 130574887

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride?
The IUPAC name of 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride (CID 135626456) is 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride?
The canonical SMILES for 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride is COCC1Nc2c(nc(N)[nH]c2=O)NC1(C)C.Cl.
What is the InChIKey of 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride?
The InChIKey is ZQEIQKPJROJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2.ClH/c1-10(2)5(4-17-3)12-6-7(15-10)13-9(11)14-8(6)16;/h5,12H,4H2,1-3H3,(H4,11,13,14,15,16);1H.
What are the key properties of 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride?
2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride is sourced from PubChem (CID 135626456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).