N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine

C14H22ClN3O — CID 114146703

IUPACN-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC2CCCC(Cl)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-19-13-7-10(2)17-14(18-13)16-9-11-5-4-6-12(15)8-11/h7,11-12H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyLMVAMFWVOLRUME-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.39
Rot. Bonds5

About N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine

N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine (PubChem CID 114146703) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
PubChem CID114146703
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC2CCCC(Cl)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-3-19-13-7-10(2)17-14(18-13)16-9-11-5-4-6-12(15)8-11/h7,11-12H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyLMVAMFWVOLRUME-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 115974493
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115975050
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114146717

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine (CID 114146703) is N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine is CCOc1cc(C)nc(NCC2CCCC(Cl)C2)n1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine?
The InChIKey is LMVAMFWVOLRUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-19-13-7-10(2)17-14(18-13)16-9-11-5-4-6-12(15)8-11/h7,11-12H,3-6,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine?
N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 114146703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).