2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol

C14H15ClN4O — CID 175727092

IUPAC2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol
SMILESCC(C)(O)[C@H]1C[C@@H]1c1cc(-c2cncnc2)nnc1Cl
InChIInChI=1S/C14H15ClN4O/c1-14(2,20)11-3-9(11)10-4-12(18-19-13(10)15)8-5-16-7-17-6-8/h4-7,9,11,20H,3H2,1-2H3/t9-,11+/m1/s1
InChIKeyIQCIKQODNWSRER-KOLCDFICSA-N
MW290.75 g/mol
LogP2.46
Rot. Bonds3

About 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol

2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol (PubChem CID 175727092) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol
PubChem CID175727092
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol
SMILESCC(C)(O)[C@H]1C[C@@H]1c1cc(-c2cncnc2)nnc1Cl
InChIInChI=1S/C14H15ClN4O/c1-14(2,20)11-3-9(11)10-4-12(18-19-13(10)15)8-5-16-7-17-6-8/h4-7,9,11,20H,3H2,1-2H3/t9-,11+/m1/s1
InChIKeyIQCIKQODNWSRER-KOLCDFICSA-N
XLogP2.46
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol?
The IUPAC name of 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol (CID 175727092) is 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol.
What is the SMILES notation for 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol?
The canonical SMILES for 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol is CC(C)(O)[C@H]1C[C@@H]1c1cc(-c2cncnc2)nnc1Cl.
What is the InChIKey of 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol?
The InChIKey is IQCIKQODNWSRER-KOLCDFICSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-14(2,20)11-3-9(11)10-4-12(18-19-13(10)15)8-5-16-7-17-6-8/h4-7,9,11,20H,3H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol?
2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol has a molecular weight of 290.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol is sourced from PubChem (CID 175727092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).