1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

C19H24N6O — CID 134708759

IUPAC1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1ccc2nc(CN(C)c3cc(N4CCC(O)CC4)ncn3)[nH]c2c1
InChIInChI=1S/C19H24N6O/c1-13-3-4-15-16(9-13)23-17(22-15)11-24(2)18-10-19(21-12-20-18)25-7-5-14(26)6-8-25/h3-4,9-10,12,14,26H,5-8,11H2,1-2H3,(H,22,23)
InChIKeyWZHHRKSIDXJEEJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.26
Rot. Bonds4

About 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 134708759) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID134708759
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCc1ccc2nc(CN(C)c3cc(N4CCC(O)CC4)ncn3)[nH]c2c1
InChIInChI=1S/C19H24N6O/c1-13-3-4-15-16(9-13)23-17(22-15)11-24(2)18-10-19(21-12-20-18)25-7-5-14(26)6-8-25/h3-4,9-10,12,14,26H,5-8,11H2,1-2H3,(H,22,23)
InChIKeyWZHHRKSIDXJEEJ-UHFFFAOYSA-N
XLogP2.26
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[6-[[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134708312
(3S)-1-[2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95220506
1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72918772
(1R,9aR)-1-[[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 46984424
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-oxopiperazine-2-carboxamide
CID 56861217
1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72921537
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 131895933
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91783336

Frequently Asked Questions

What is the IUPAC name of 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 134708759) is 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is Cc1ccc2nc(CN(C)c3cc(N4CCC(O)CC4)ncn3)[nH]c2c1.
What is the InChIKey of 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is WZHHRKSIDXJEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-3-4-15-16(9-13)23-17(22-15)11-24(2)18-10-19(21-12-20-18)25-7-5-14(26)6-8-25/h3-4,9-10,12,14,26H,5-8,11H2,1-2H3,(H,22,23).
What are the key properties of 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 352.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 134708759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).