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

C14H24ClN3 — CID 55032321

IUPAC4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)CC(C)(C)C)c(CCl)n1
InChIInChI=1S/C14H24ClN3/c1-10(2)13-16-8-12(11(7-15)17-13)18(6)9-14(3,4)5/h8,10H,7,9H2,1-6H3
InChIKeyXWZAMMVASQWYGF-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.82
Rot. Bonds4

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

4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 55032321) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID55032321
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1ncc(N(C)CC(C)(C)C)c(CCl)n1
InChIInChI=1S/C14H24ClN3/c1-10(2)13-16-8-12(11(7-15)17-13)18(6)9-14(3,4)5/h8,10H,7,9H2,1-6H3
InChIKeyXWZAMMVASQWYGF-UHFFFAOYSA-N
XLogP3.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine (CID 55032321) is 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine is CC(C)c1ncc(N(C)CC(C)(C)C)c(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is XWZAMMVASQWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-10(2)13-16-8-12(11(7-15)17-13)18(6)9-14(3,4)5/h8,10H,7,9H2,1-6H3.
What are the key properties of 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine?
4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 269.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 55032321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).