2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride

C11H20ClN5O — CID 136650499

IUPAC2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESCC(C)(C)CC1CNc2nc(N)[nH]c(=O)c2N1.Cl
InChIInChI=1S/C11H19N5O.ClH/c1-11(2,3)4-6-5-13-8-7(14-6)9(17)16-10(12)15-8;/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17);1H
InChIKeyCNSKJBPYFZPPQV-UHFFFAOYSA-N
MW273.77 g/mol
LogP1.42
Rot. Bonds1

About 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride

2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (PubChem CID 136650499) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
PubChem CID136650499
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC Name2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESCC(C)(C)CC1CNc2nc(N)[nH]c(=O)c2N1.Cl
InChIInChI=1S/C11H19N5O.ClH/c1-11(2,3)4-6-5-13-8-7(14-6)9(17)16-10(12)15-8;/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17);1H
InChIKeyCNSKJBPYFZPPQV-UHFFFAOYSA-N
XLogP1.42
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-Amino-5,6,7,8-tetrahydro-cis-6,7-dimethyl-4(1H)-pteridinone
CID 135789971
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride
CID 154926016
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride
CID 162305195
4(1H)-Pteridinone, 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-
CID 135406875
6(s)-Propyl-tetrahydropterin
CID 135518060
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
(6R,7S)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135873521
2-Amino-7,7-dimethyl-6-propan-2-yl-3,5,6,8-tetrahydropteridin-4-one
CID 136076843
2-Amino-6,6,7-trimethyl-3,5,7,8-tetrahydropteridin-4-one
CID 136088107
2-Amino-6-ethyl-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 136128291

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The IUPAC name of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (CID 136650499) is 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The canonical SMILES for 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is CC(C)(C)CC1CNc2nc(N)[nH]c(=O)c2N1.Cl.
What is the InChIKey of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The InChIKey is CNSKJBPYFZPPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.ClH/c1-11(2,3)4-6-5-13-8-7(14-6)9(17)16-10(12)15-8;/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17);1H.
What are the key properties of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride has a molecular weight of 273.77 g/mol, XLogP of 1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is sourced from PubChem (CID 136650499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).