1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol

C16H23ClN4O — CID 54317367

IUPAC1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol
SMILESCC1=C2N(Cc3ccc(Cl)nc3)CCN2CN(CC(C)O)C1
InChIInChI=1S/C16H23ClN4O/c1-12-8-19(9-13(2)22)11-21-6-5-20(16(12)21)10-14-3-4-15(17)18-7-14/h3-4,7,13,22H,5-6,8-11H2,1-2H3
InChIKeySPEAVXKQDJGDEK-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.74
Rot. Bonds4

About 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol

1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol (PubChem CID 54317367) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol
PubChem CID54317367
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol
SMILESCC1=C2N(Cc3ccc(Cl)nc3)CCN2CN(CC(C)O)C1
InChIInChI=1S/C16H23ClN4O/c1-12-8-19(9-13(2)22)11-21-6-5-20(16(12)21)10-14-3-4-15(17)18-7-14/h3-4,7,13,22H,5-6,8-11H2,1-2H3
InChIKeySPEAVXKQDJGDEK-UHFFFAOYSA-N
XLogP1.74
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol?
The IUPAC name of 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol (CID 54317367) is 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol is CC1=C2N(Cc3ccc(Cl)nc3)CCN2CN(CC(C)O)C1.
What is the InChIKey of 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol?
The InChIKey is SPEAVXKQDJGDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-12-8-19(9-13(2)22)11-21-6-5-20(16(12)21)10-14-3-4-15(17)18-7-14/h3-4,7,13,22H,5-6,8-11H2,1-2H3.
What are the key properties of 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol?
1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol has a molecular weight of 322.84 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-chloro-3-pyridinyl)methyl]-8-methyl-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]propan-2-ol is sourced from PubChem (CID 54317367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).