(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol

C16H21N3O — CID 97237931

IUPAC(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol
SMILESCc1cc(C)nc(N(C)[C@H](CCO)c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-12-11-13(2)18-16(17-12)19(3)15(9-10-20)14-7-5-4-6-8-14/h4-8,11,15,20H,9-10H2,1-3H3/t15-/m1/s1
InChIKeyNQXOHMXWAOTIFO-OAHLLOKOSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds5

About (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol

(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol (PubChem CID 97237931) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol
PubChem CID97237931
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol
SMILESCc1cc(C)nc(N(C)[C@H](CCO)c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-12-11-13(2)18-16(17-12)19(3)15(9-10-20)14-7-5-4-6-8-14/h4-8,11,15,20H,9-10H2,1-3H3/t15-/m1/s1
InChIKeyNQXOHMXWAOTIFO-OAHLLOKOSA-N
XLogP2.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-3-hydroxy-1-phenylpropyl]-N-methylacetamide
CID 97069291
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid
CID 154742768
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide
CID 86785053
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol (CID 97237931) is (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol is Cc1cc(C)nc(N(C)[C@H](CCO)c2ccccc2)n1.
What is the InChIKey of (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol?
The InChIKey is NQXOHMXWAOTIFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-11-13(2)18-16(17-12)19(3)15(9-10-20)14-7-5-4-6-8-14/h4-8,11,15,20H,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 97237931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).