1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol

C16H28N4O — CID 80826718

IUPAC1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCc1c(NC)ncnc1NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H28N4O/c1-5-12-13(17-4)19-11-20-14(12)18-10-16(21)8-6-15(2,3)7-9-16/h11,21H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyFYOVFKHAUGLBGC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.82
Rot. Bonds5

About 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 80826718) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID80826718
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCc1c(NC)ncnc1NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C16H28N4O/c1-5-12-13(17-4)19-11-20-14(12)18-10-16(21)8-6-15(2,3)7-9-16/h11,21H,5-10H2,1-4H3,(H2,17,18,19,20)
InChIKeyFYOVFKHAUGLBGC-UHFFFAOYSA-N
XLogP2.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80915300
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542
4,4-dimethyl-1-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 138032046
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856330
1-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826151
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132173
1-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 78992994
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 80826718) is 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol is CCc1c(NC)ncnc1NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is FYOVFKHAUGLBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-12-13(17-4)19-11-20-14(12)18-10-16(21)8-6-15(2,3)7-9-16/h11,21H,5-10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 80826718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).