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

C17H21N3O — CID 97113424

IUPAC(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCN(CC[C@H](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/t16-/m0/s1
InChIKeyBWFDPOOKIUJIMQ-INIZCTEOSA-N
MW283.38 g/mol
LogP2.91
Rot. Bonds6

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

(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (PubChem CID 97113424) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
PubChem CID97113424
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCN(CC[C@H](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/t16-/m0/s1
InChIKeyBWFDPOOKIUJIMQ-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (CID 97113424) is (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is CN(CC[C@H](O)c1ccccc1)c1cc(C2CC2)ncn1.
What is the InChIKey of (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is BWFDPOOKIUJIMQ-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
(1S)-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 (1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 97113424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).