(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol

C19H27N3O2 — CID 135252916

IUPAC(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
SMILESCCCC[C@H](CCO)Nc1nc(C)ncc1OCc1ccccc1
InChIInChI=1S/C19H27N3O2/c1-3-4-10-17(11-12-23)22-19-18(13-20-15(2)21-19)24-14-16-8-6-5-7-9-16/h5-9,13,17,23H,3-4,10-12,14H2,1-2H3,(H,20,21,22)/t17-/m1/s1
InChIKeyMHJZMCYAEYTXCG-QGZVFWFLSA-N
MW329.44 g/mol
LogP3.72
Rot. Bonds10

About (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol

(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol (PubChem CID 135252916) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
PubChem CID135252916
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
SMILESCCCC[C@H](CCO)Nc1nc(C)ncc1OCc1ccccc1
InChIInChI=1S/C19H27N3O2/c1-3-4-10-17(11-12-23)22-19-18(13-20-15(2)21-19)24-14-16-8-6-5-7-9-16/h5-9,13,17,23H,3-4,10-12,14H2,1-2H3,(H,20,21,22)/t17-/m1/s1
InChIKeyMHJZMCYAEYTXCG-QGZVFWFLSA-N
XLogP3.72
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide
CID 123903397
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
(3S)-3-[[2-ethenyl-5-(isoquinolin-3-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 134569189
3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 123278214
(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 134569028
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
6-[[4-[[(3S)-1-hydroxyheptan-3-yl]amino]-2-methylpyrimidin-5-yl]oxymethyl]pyridine-2-carboxamide;(3S)-3-[[5-(isoquinolin-1-ylmethoxy)-2,6-dimethylpyrimidin-4-yl]amino]hexan-1-ol;(3S)-3-[[2-methyl-5-[(1-phenyltriazol-4-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;(3S)-3-[[2-methyl-5-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-methyl-5-(pyridin-4-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 159019307
2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol
CID 134569147
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol?
The IUPAC name of (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol (CID 135252916) is (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol.
What is the SMILES notation for (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol?
The canonical SMILES for (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol is CCCC[C@H](CCO)Nc1nc(C)ncc1OCc1ccccc1.
What is the InChIKey of (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol?
The InChIKey is MHJZMCYAEYTXCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-4-10-17(11-12-23)22-19-18(13-20-15(2)21-19)24-14-16-8-6-5-7-9-16/h5-9,13,17,23H,3-4,10-12,14H2,1-2H3,(H,20,21,22)/t17-/m1/s1.
What are the key properties of (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol?
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol is sourced from PubChem (CID 135252916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).