1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol

C20H28N6O — CID 72912997

IUPAC1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1cc(N2CCCN(c3nccc(N4CCCC(O)C4)n3)CC2)ccn1
InChIInChI=1S/C20H28N6O/c1-16-14-17(5-7-21-16)24-10-3-11-25(13-12-24)20-22-8-6-19(23-20)26-9-2-4-18(27)15-26/h5-8,14,18,27H,2-4,9-13,15H2,1H3
InChIKeyUQXYNBKFAWAVIM-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol

1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 72912997) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol
PubChem CID72912997
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1cc(N2CCCN(c3nccc(N4CCCC(O)C4)n3)CC2)ccn1
InChIInChI=1S/C20H28N6O/c1-16-14-17(5-7-21-16)24-10-3-11-25(13-12-24)20-22-8-6-19(23-20)26-9-2-4-18(27)15-26/h5-8,14,18,27H,2-4,9-13,15H2,1H3
InChIKeyUQXYNBKFAWAVIM-UHFFFAOYSA-N
XLogP1.86
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
(3S)-1-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]piperidin-3-ol
CID 95131017
(3S)-1-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-ol
CID 171359732
9-hydroxy-3-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylic acid
CID 135118225
1-(2-methyl-4-pyridinyl)-4-(1,3,5-triazin-2-yl)-1,4-diazepane
CID 91782484
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
(3S)-1-[2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]piperidin-3-ol
CID 95205893
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
2-methyl-4-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171334426

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol (CID 72912997) is 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol is Cc1cc(N2CCCN(c3nccc(N4CCCC(O)C4)n3)CC2)ccn1.
What is the InChIKey of 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is UQXYNBKFAWAVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-16-14-17(5-7-21-16)24-10-3-11-25(13-12-24)20-22-8-6-19(23-20)26-9-2-4-18(27)15-26/h5-8,14,18,27H,2-4,9-13,15H2,1H3.
What are the key properties of 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 368.49 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 72912997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).