1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol

C19H29N7O — CID 45252130

IUPAC1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc(C)nc(N2CCC(Cn3cc(CN4CCC(O)C4)nn3)CC2)n1
InChIInChI=1S/C19H29N7O/c1-14-9-15(2)21-19(20-14)25-7-3-16(4-8-25)10-26-12-17(22-23-26)11-24-6-5-18(27)13-24/h9,12,16,18,27H,3-8,10-11,13H2,1-2H3
InChIKeyLPTLONIMAHFBFI-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.17
Rot. Bonds5

About 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol

1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 45252130) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID45252130
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1cc(C)nc(N2CCC(Cn3cc(CN4CCC(O)C4)nn3)CC2)n1
InChIInChI=1S/C19H29N7O/c1-14-9-15(2)21-19(20-14)25-7-3-16(4-8-25)10-26-12-17(22-23-26)11-24-6-5-18(27)13-24/h9,12,16,18,27H,3-8,10-11,13H2,1-2H3
InChIKeyLPTLONIMAHFBFI-UHFFFAOYSA-N
XLogP1.17
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

[1-({1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28099723
[(1-{[1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]dimethylamine bis(trifluoroacetate)
CID 45205552
[8-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(2-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91922298
[8-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91922284
[1-({1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28641538
1-(2,6-Diethylpyrimidin-4-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 138022978
1-[1-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935866
1-[1-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327104
1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
CID 137841149
1-[[1-[[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 154924856
[1-[1-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]triazol-4-yl]methanol
CID 167824088
[1-(6-isopropyl-2-methylpyrimidin-4-yl)piperidin-4-yl](1-methyl-1H-imidazol-2-yl)methanol
CID 50968921

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol (CID 45252130) is 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol is Cc1cc(C)nc(N2CCC(Cn3cc(CN4CCC(O)C4)nn3)CC2)n1.
What is the InChIKey of 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is LPTLONIMAHFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-9-15(2)21-19(20-14)25-7-3-16(4-8-25)10-26-12-17(22-23-26)11-24-6-5-18(27)13-24/h9,12,16,18,27H,3-8,10-11,13H2,1-2H3.
What are the key properties of 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol?
1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 371.49 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 45252130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).