3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol

C17H23N3O — CID 150666961

IUPAC3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol
SMILESCC(O)C(C)CC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-13(14(2)21)11-16(15-7-4-3-5-8-15)12-20-17-18-9-6-10-19-17/h3-10,13-14,16,21H,11-12H2,1-2H3,(H,18,19,20)
InChIKeyJFBNWDXJHRTUPC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds7

About 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol

3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol (PubChem CID 150666961) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol.

Molecular Properties

Compound Name3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol
PubChem CID150666961
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol
SMILESCC(O)C(C)CC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-13(14(2)21)11-16(15-7-4-3-5-8-15)12-20-17-18-9-6-10-19-17/h3-10,13-14,16,21H,11-12H2,1-2H3,(H,18,19,20)
InChIKeyJFBNWDXJHRTUPC-UHFFFAOYSA-N
XLogP3.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 63120833
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
4-phenylheptane-2,6-diol
CID 173150769
5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
CID 133420036
N-(2-cyclopropylpropyl)pyrimidin-2-amine
CID 115591492
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol
CID 167952717
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
CID 112696400
7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol
CID 70384868
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol?
The IUPAC name of 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol (CID 150666961) is 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol.
What is the SMILES notation for 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol?
The canonical SMILES for 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol is CC(O)C(C)CC(CNc1ncccn1)c1ccccc1.
What is the InChIKey of 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol?
The InChIKey is JFBNWDXJHRTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(14(2)21)11-16(15-7-4-3-5-8-15)12-20-17-18-9-6-10-19-17/h3-10,13-14,16,21H,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol?
3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol is sourced from PubChem (CID 150666961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).