4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol

C15H18ClN3O — CID 115914889

IUPAC4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c1-11(6-5-9-20)17-14-10-13(16)18-15(19-14)12-7-3-2-4-8-12/h2-4,7-8,10-11,20H,5-6,9H2,1H3,(H,17,18,19)
InChIKeyVLRHNXAYRCTGOP-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.37
Rot. Bonds6

About 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol

4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 115914889) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
PubChem CID115914889
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3O/c1-11(6-5-9-20)17-14-10-13(16)18-15(19-14)12-7-3-2-4-8-12/h2-4,7-8,10-11,20H,5-6,9H2,1H3,(H,17,18,19)
InChIKeyVLRHNXAYRCTGOP-UHFFFAOYSA-N
XLogP3.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 115914717
N-pentan-2-yl-2,6-diphenylpyrimidin-4-amine
CID 142806222
6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 106194435
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358096
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
CID 115976030
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol (CID 115914889) is 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol is CC(CCCO)Nc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is VLRHNXAYRCTGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(6-5-9-20)17-14-10-13(16)18-15(19-14)12-7-3-2-4-8-12/h2-4,7-8,10-11,20H,5-6,9H2,1H3,(H,17,18,19).
What are the key properties of 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol?
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 115914889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).