3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol

C17H21N3O — CID 72849739

IUPAC3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)c1cc(C2CC2)ncn1
InChIInChI=1S/C17H21N3O/c1-20(10-9-16(21)14-5-3-2-4-6-14)17-11-15(13-7-8-13)18-12-19-17/h2-6,11-13,16,21H,7-10H2,1H3
InChIKeyBWFDPOOKIUJIMQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.91
Rot. Bonds6

About 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol

3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (PubChem CID 72849739) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
PubChem CID72849739
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)c1cc(C2CC2)ncn1
InChIInChI=1S/C17H21N3O/c1-20(10-9-16(21)14-5-3-2-4-6-14)17-11-15(13-7-8-13)18-12-19-17/h2-6,11-13,16,21H,7-10H2,1H3
InChIKeyBWFDPOOKIUJIMQ-UHFFFAOYSA-N
XLogP2.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[6-(3,4-Dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918546
2-[[6-(4-Ethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918569
2-[[6-(4-Tert-butylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918619
1-Phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 70963358
(1R)-2-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 76310795
1-Phenyl-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propan-1-ol
CID 10709212
1-Phenyl-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-ol
CID 10827876
[6-(Cyclopropylmethyl-propyl-amino)-2-methyl-pyrimidin-4-yl]-(2,4,6-trimethyl-phenyl)-methanol
CID 44392801
[6-(Cyclopropylmethyl-propyl-amino)-2-methyl-pyrimidin-4-yl]-(2,4,6-triethyl-phenyl)-methanol
CID 44392802
8-(4-Methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3228658

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (CID 72849739) is 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)c1cc(C2CC2)ncn1.
What is the InChIKey of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is BWFDPOOKIUJIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(10-9-16(21)14-5-3-2-4-6-14)17-11-15(13-7-8-13)18-12-19-17/h2-6,11-13,16,21H,7-10H2,1H3.
What are the key properties of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol has a molecular weight of 283.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 72849739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).