7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane

C14H24N4O — CID 82666973

IUPAC7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane
SMILESCOc1ncnc(C(C)C)c1C1CCNCCN1C
InChIInChI=1S/C14H24N4O/c1-10(2)13-12(14(19-4)17-9-16-13)11-5-6-15-7-8-18(11)3/h9-11,15H,5-8H2,1-4H3
InChIKeyUKNQUKWLFHMSBW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds3

About 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane

7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane (PubChem CID 82666973) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane
PubChem CID82666973
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane
SMILESCOc1ncnc(C(C)C)c1C1CCNCCN1C
InChIInChI=1S/C14H24N4O/c1-10(2)13-12(14(19-4)17-9-16-13)11-5-6-15-7-8-18(11)3/h9-11,15H,5-8H2,1-4H3
InChIKeyUKNQUKWLFHMSBW-UHFFFAOYSA-N
XLogP1.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 82666177
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
7-(5-methoxy-1-benzofuran-3-yl)-1-methyl-1,4-diazepane
CID 82665866
7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
CID 130117727
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665869
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
4,6,7-trimethoxy-5-piperidin-4-ylquinazoline
CID 90996911
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane?
The IUPAC name of 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane (CID 82666973) is 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane?
The canonical SMILES for 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane is COc1ncnc(C(C)C)c1C1CCNCCN1C.
What is the InChIKey of 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane?
The InChIKey is UKNQUKWLFHMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)13-12(14(19-4)17-9-16-13)11-5-6-15-7-8-18(11)3/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane?
7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane has a molecular weight of 264.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 82666973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).