(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride

C8H11ClN2O — CID 52993133

IUPAC(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CN=C2C=CC=CN2C1
InChIInChI=1S/C8H10N2O.ClH/c11-7-5-9-8-3-1-2-4-10(8)6-7;/h1-4,7,11H,5-6H2;1H/t7-;/m0./s1
InChIKeyVAUHXGBJYDPUKI-FJXQXJEOSA-N
MW186.64 g/mol
LogP0.57
Rot. Bonds

About (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride

(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride (PubChem CID 52993133) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride
PubChem CID52993133
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride
SMILESCl.O[C@H]1CN=C2C=CC=CN2C1
InChIInChI=1S/C8H10N2O.ClH/c11-7-5-9-8-3-1-2-4-10(8)6-7;/h1-4,7,11H,5-6H2;1H/t7-;/m0./s1
InChIKeyVAUHXGBJYDPUKI-FJXQXJEOSA-N
XLogP0.57
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroimidazo[1,2-a]pyridin-3-ol
CID 170038851
6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ol
CID 45083155
(3R)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93495431
ethane;2-methyl-3H-[1,2,4]triazolo[4,3-a]pyridine
CID 142283394
3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ol
CID 3254285
(6Z,8Z,10Z)-4H-pyrimido[1,2-a]azocine-2-carboxamide
CID 142785551
1a,3-dihydro-1H-cyclopropa[a]quinolizin-2-one;hydrochloride
CID 70382837
2H-imidazo[1,2-a]pyridin-3-imine
CID 172840238
2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 164647883
3-bromo-2-butyl-4H-pyrido[1,2-a]pyrimidine
CID 141214894
2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
CID 82144179
5-methyl-3,4-dihydro-2H-pyrrol-3-ol
CID 175914585

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride?
The IUPAC name of (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride (CID 52993133) is (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride.
What is the SMILES notation for (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride?
The canonical SMILES for (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride is Cl.O[C@H]1CN=C2C=CC=CN2C1.
What is the InChIKey of (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride?
The InChIKey is VAUHXGBJYDPUKI-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c11-7-5-9-8-3-1-2-4-10(8)6-7;/h1-4,7,11H,5-6H2;1H/t7-;/m0./s1.
What are the key properties of (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride?
(3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride is sourced from PubChem (CID 52993133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).