3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

C14H22N4O — CID 91775817

IUPAC3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN1CCCN(c2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c1-17-3-2-4-18(6-5-17)14-9-13(15-10-16-14)11-7-12(19)8-11/h9-12,19H,2-8H2,1H3
InChIKeyJTPNJSARNWCSGM-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.86
Rot. Bonds2

About 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol

3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91775817) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91775817
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN1CCCN(c2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C14H22N4O/c1-17-3-2-4-18(6-5-17)14-9-13(15-10-16-14)11-7-12(19)8-11/h9-12,19H,2-8H2,1H3
InChIKeyJTPNJSARNWCSGM-UHFFFAOYSA-N
XLogP0.86
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91770488
3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91772623
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 91767555
3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol
CID 91776992
1-(6-cyclobutylpyrimidin-4-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435367
[(3R,4R)-1-(6-cyclopropylpyrimidin-4-yl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 70777333
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
3-[6-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91783807

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol (CID 91775817) is 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is CN1CCCN(c2cc(C3CC(O)C3)ncn2)CC1.
What is the InChIKey of 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is JTPNJSARNWCSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-3-2-4-18(6-5-17)14-9-13(15-10-16-14)11-7-12(19)8-11/h9-12,19H,2-8H2,1H3.
What are the key properties of 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91775817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).