4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C14H22ClN3O — CID 114148545

IUPAC4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCc1nc(Cl)c(C)c(NCC2CCC(O)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-12-17-13(15)9(2)14(18-12)16-8-10-4-6-11(19)7-5-10/h10-11,19H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyONKXJVCDZQISCE-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.96
Rot. Bonds4

About 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 114148545) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID114148545
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCc1nc(Cl)c(C)c(NCC2CCC(O)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-12-17-13(15)9(2)14(18-12)16-8-10-4-6-11(19)7-5-10/h10-11,19H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyONKXJVCDZQISCE-UHFFFAOYSA-N
XLogP2.96
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80977885
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
4-[[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138586
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553
6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80972684

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 114148545) is 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CCc1nc(Cl)c(C)c(NCC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ONKXJVCDZQISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-12-17-13(15)9(2)14(18-12)16-8-10-4-6-11(19)7-5-10/h10-11,19H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114148545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).