4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine

C15H24ClN3 — CID 62087436

IUPAC4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)C2CCCCC2)c(CCl)n1
InChIInChI=1S/C15H24ClN3/c1-11(2)15-17-10-14(13(9-16)18-15)19(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3
InChIKeyLENAHOSEVURTOY-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.11
Rot. Bonds4

About 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine

4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62087436) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID62087436
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)C2CCCCC2)c(CCl)n1
InChIInChI=1S/C15H24ClN3/c1-11(2)15-17-10-14(13(9-16)18-15)19(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3
InChIKeyLENAHOSEVURTOY-UHFFFAOYSA-N
XLogP4.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-methyl-N-(oxan-4-yl)-2-propan-2-ylpyrimidin-5-amine
CID 55032990
4-(chloromethyl)-N-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-5-amine
CID 63446591
4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62088695
4-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidin-5-amine
CID 82749492
N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-5-amine
CID 62547182
4-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112663645
N-butan-2-yl-4-(chloromethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 55032896
4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
CID 62086546
4-(chloromethyl)-N-cyclopropyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-5-amine
CID 62086549
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-5-amine
CID 62088519
1-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]azocane
CID 62088333
4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine
CID 83062508

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine (CID 62087436) is 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine is CC(C)c1ncc(N(C)C2CCCCC2)c(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is LENAHOSEVURTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-11(2)15-17-10-14(13(9-16)18-15)19(3)12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine?
4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 281.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclohexyl-N-methyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62087436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).