N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine

C17H27N3O2 — CID 99928236

IUPACN-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
SMILESCN(Cc1cnc(C2CCCCC2)nc1)C[C@H]1COCCO1
InChIInChI=1S/C17H27N3O2/c1-20(12-16-13-21-7-8-22-16)11-14-9-18-17(19-10-14)15-5-3-2-4-6-15/h9-10,15-16H,2-8,11-13H2,1H3/t16-/m0/s1
InChIKeyHEKGTBHNDAHJCC-INIZCTEOSA-N
MW305.42 g/mol
LogP2.37
Rot. Bonds5

About N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine

N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine (PubChem CID 99928236) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
PubChem CID99928236
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
SMILESCN(Cc1cnc(C2CCCCC2)nc1)C[C@H]1COCCO1
InChIInChI=1S/C17H27N3O2/c1-20(12-16-13-21-7-8-22-16)11-14-9-18-17(19-10-14)15-5-3-2-4-6-15/h9-10,15-16H,2-8,11-13H2,1H3/t16-/m0/s1
InChIKeyHEKGTBHNDAHJCC-INIZCTEOSA-N
XLogP2.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
1-(2-cyclohexylpyrimidin-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 77092811
1-(2,1,3-benzoxadiazol-5-yl)-N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methylmethanamine
CID 77091567
1-(1,4-dioxan-2-yl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 155974225
5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99936239
1-(2-cyclohexylpyrimidin-5-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77085902
N-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 45238384
1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 99931473
2-cyclohexyl-5-propylpyrimidine
CID 57193046
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
2-(1,4-dioxan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 138809605
5-butyl-2-cyclohexylpyrimidine
CID 154503798

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
The IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine (CID 99928236) is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
The canonical SMILES for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine is CN(Cc1cnc(C2CCCCC2)nc1)C[C@H]1COCCO1.
What is the InChIKey of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
The InChIKey is HEKGTBHNDAHJCC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(12-16-13-21-7-8-22-16)11-14-9-18-17(19-10-14)15-5-3-2-4-6-15/h9-10,15-16H,2-8,11-13H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine?
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine has a molecular weight of 305.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 99928236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).