(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol

C19H19ClN4O — CID 156866263

IUPAC(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H19ClN4O/c1-2-16(12-25)22-18-10-17(13-5-7-15(20)8-6-13)23-19(24-18)14-4-3-9-21-11-14/h3-11,16,25H,2,12H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyZNZPSCJPHHVIMI-MRXNPFEDSA-N
MW354.84 g/mol
LogP4.04
Rot. Bonds6

About (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol

(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol (PubChem CID 156866263) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
PubChem CID156866263
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H19ClN4O/c1-2-16(12-25)22-18-10-17(13-5-7-15(20)8-6-13)23-19(24-18)14-4-3-9-21-11-14/h3-11,16,25H,2,12H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyZNZPSCJPHHVIMI-MRXNPFEDSA-N
XLogP4.04
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol (CID 156866263) is (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol is CC[C@H](CO)Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1.
What is the InChIKey of (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is ZNZPSCJPHHVIMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-16(12-25)22-18-10-17(13-5-7-15(20)8-6-13)23-19(24-18)14-4-3-9-21-11-14/h3-11,16,25H,2,12H2,1H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol?
(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 354.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 156866263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).