6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine

C17H28N4O — CID 124978384

IUPAC6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C[C@H]2COCCN(C3CCCCC3)C2)ncn1
InChIInChI=1S/C17H28N4O/c1-18-17-10-15(19-13-20-17)9-14-11-21(7-8-22-12-14)16-5-3-2-4-6-16/h10,13-14,16H,2-9,11-12H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyLTMZDKLYSGKBIS-CQSZACIVSA-N
MW304.44 g/mol
LogP2.34
Rot. Bonds4

About 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine

6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine (PubChem CID 124978384) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine
PubChem CID124978384
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C[C@H]2COCCN(C3CCCCC3)C2)ncn1
InChIInChI=1S/C17H28N4O/c1-18-17-10-15(19-13-20-17)9-14-11-21(7-8-22-12-14)16-5-3-2-4-6-16/h10,13-14,16H,2-9,11-12H2,1H3,(H,18,19,20)/t14-/m1/s1
InChIKeyLTMZDKLYSGKBIS-CQSZACIVSA-N
XLogP2.34
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

4-cycloheptyl-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 110272080
2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol
CID 110090206
[(6R)-6-[[6-(methylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-3-ylmethanone
CID 124972965
4-[[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]oxan-4-ol
CID 155983206
(6S)-4-(1-ethylpiperidin-4-yl)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepane
CID 125016311
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124991520
2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 110269085
6-(4-cyclopentylmorpholin-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 110271821
N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 92637873
N,N-dimethyl-5-[[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]methyl]pyrimidin-2-amine
CID 125012611

Frequently Asked Questions

What is the IUPAC name of 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine (CID 124978384) is 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine is CNc1cc(C[C@H]2COCCN(C3CCCCC3)C2)ncn1.
What is the InChIKey of 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine?
The InChIKey is LTMZDKLYSGKBIS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O/c1-18-17-10-15(19-13-20-17)9-14-11-21(7-8-22-12-14)16-5-3-2-4-6-16/h10,13-14,16H,2-9,11-12H2,1H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine?
6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6R)-4-cyclohexyl-1,4-oxazepan-6-yl]methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 124978384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).