[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol

C16H26N4O — CID 133111471

IUPAC[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
SMILESCN(C)C[C@@H]1C[C@@H](CO)CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C16H26N4O/c1-19(2)7-12-5-13(10-21)9-20(8-12)16-6-15(14-3-4-14)17-11-18-16/h6,11-14,21H,3-5,7-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySQHMDSMANUVOML-QWHCGFSZSA-N
MW290.41 g/mol
LogP1.35
Rot. Bonds5

About [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol

[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol (PubChem CID 133111471) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
PubChem CID133111471
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
SMILESCN(C)C[C@@H]1C[C@@H](CO)CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C16H26N4O/c1-19(2)7-12-5-13(10-21)9-20(8-12)16-6-15(14-3-4-14)17-11-18-16/h6,11-14,21H,3-5,7-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySQHMDSMANUVOML-QWHCGFSZSA-N
XLogP1.35
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
N-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-N-methylcyclopropanesulfonamide
CID 154582564
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
[(3R,4R)-1-(6-cyclopropylpyrimidin-4-yl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 70777333
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 155974233
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
CID 154580669
4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163351027
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
[3-(6-cyclopropylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-[4-(dimethylamino)phenyl]methanone
CID 172893698

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol (CID 133111471) is [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol is CN(C)C[C@@H]1C[C@@H](CO)CN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The InChIKey is SQHMDSMANUVOML-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)7-12-5-13(10-21)9-20(8-12)16-6-15(14-3-4-14)17-11-18-16/h6,11-14,21H,3-5,7-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 133111471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).