N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine

C14H24ClN3 — CID 106354467

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC(CCCl)C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H24ClN3/c1-6-11-9-13(17-10(2)16-11)18-12(7-8-15)14(3,4)5/h9,12H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyCUWRPIREPDUBEG-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.80
Rot. Bonds5

About N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine

N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 106354467) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID106354467
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC(CCCl)C(C)(C)C)nc(C)n1
InChIInChI=1S/C14H24ClN3/c1-6-11-9-13(17-10(2)16-11)18-12(7-8-15)14(3,4)5/h9,12H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyCUWRPIREPDUBEG-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
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 N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine (CID 106354467) is N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NC(CCCl)C(C)(C)C)nc(C)n1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is CUWRPIREPDUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-6-11-9-13(17-10(2)16-11)18-12(7-8-15)14(3,4)5/h9,12H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine?
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106354467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).