3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C14H24N4O — CID 106138359

IUPAC3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCc1c(NC)ncnc1NCC1CCCC(O)C1
InChIInChI=1S/C14H24N4O/c1-3-12-13(15-2)17-9-18-14(12)16-8-10-5-4-6-11(19)7-10/h9-11,19H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRIXAHXMYINUPKL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds5

About 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138359) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106138359
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCc1c(NC)ncnc1NCC1CCCC(O)C1
InChIInChI=1S/C14H24N4O/c1-3-12-13(15-2)17-9-18-14(12)16-8-10-5-4-6-11(19)7-10/h9-11,19H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyRIXAHXMYINUPKL-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138769
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856330
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
3-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103269696
methyl 4-[(3-hydroxycyclohexyl)methylamino]pyrimidine-5-carboxylate
CID 114214881
5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80783931
N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 106127963
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138049
6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 106138359) is 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CCc1c(NC)ncnc1NCC1CCCC(O)C1.
What is the InChIKey of 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is RIXAHXMYINUPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12-13(15-2)17-9-18-14(12)16-8-10-5-4-6-11(19)7-10/h9-11,19H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).