1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol

C10H13N3OS — CID 511758

IUPAC1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol
SMILESCC(O)CSCc1cnc2ncccn12
InChIInChI=1S/C10H13N3OS/c1-8(14)6-15-7-9-5-12-10-11-3-2-4-13(9)10/h2-5,8,14H,6-7H2,1H3
InChIKeyDQBVIGRDPONBFV-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.34
Rot. Bonds4

About 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol

1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol (PubChem CID 511758) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol
PubChem CID511758
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol
SMILESCC(O)CSCc1cnc2ncccn12
InChIInChI=1S/C10H13N3OS/c1-8(14)6-15-7-9-5-12-10-11-3-2-4-13(9)10/h2-5,8,14H,6-7H2,1H3
InChIKeyDQBVIGRDPONBFV-UHFFFAOYSA-N
XLogP1.34
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Ethylsulfanyl)imidazo[1,5-a]pyrazine
CID 298356
2-[(Imidazo[1,5-a]pyrazin-3-yl)sulfanyl]ethan-1-ol
CID 299315
Ethoxy[({imidazo[1,2-A]pyrimidin-2-YL}methyl)sulfanyl]methanethione
CID 700179
Imidazo[1,2-a]pyrimidin-2-ylmethyl diethylcarbamodithioate
CID 700181
1-Imidazo[1,5-a]pyrazin-3-ylsulfanylpropan-2-one
CID 76847852
2-[Imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864840
3-[Imidazo[1,2-a]pyrimidin-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 109931993
2-[2,2-Difluoroethyl(imidazo[1,2-a]pyrimidin-2-ylmethyl)amino]ethanol
CID 113965034
2-((Imidazo[1,2-a]pyrimidin-2-ylmethyl)thio)-4,5-dihydrothiazole
CID 694270
Imidazo[1,2-a]pyrimidin-2-ylmethyl 4-ethyl-1-piperazinecarbodithioate
CID 3333502
Imidazo[1,2-a]pyrimidin-2-ylmethyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate
CID 3685502
{Imidazo[1,2-A]pyrimidin-2-YL}methyl 4-methylpiperazine-1-carbodithioate
CID 4251134

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol?
The IUPAC name of 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol (CID 511758) is 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol is CC(O)CSCc1cnc2ncccn12.
What is the InChIKey of 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol?
The InChIKey is DQBVIGRDPONBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8(14)6-15-7-9-5-12-10-11-3-2-4-13(9)10/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol?
1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol has a molecular weight of 223.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol is sourced from PubChem (CID 511758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).