N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine

C11H18ClN3 — CID 106142341

IUPACN-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
SMILESCC(C)(CCCCl)CNc1ncccn1
InChIInChI=1S/C11H18ClN3/c1-11(2,5-3-6-12)9-15-10-13-7-4-8-14-10/h4,7-8H,3,5-6,9H2,1-2H3,(H,13,14,15)
InChIKeyWXUXJPDZQHCHGJ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.93
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine

N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine (PubChem CID 106142341) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
PubChem CID106142341
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine
SMILESCC(C)(CCCCl)CNc1ncccn1
InChIInChI=1S/C11H18ClN3/c1-11(2,5-3-6-12)9-15-10-13-7-4-8-14-10/h4,7-8H,3,5-6,9H2,1-2H3,(H,13,14,15)
InChIKeyWXUXJPDZQHCHGJ-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine
CID 115363809
N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
CID 106142257
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
N-(5-chloro-2,2-dimethylpentyl)quinolin-4-amine
CID 106142336
4-chloro-2,2-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
CID 106140431
N-(5-chloro-2,2-dimethylpentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 106142058
N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine
CID 106142055
3-bromo-N-(4-chloro-2,2-dimethylbutyl)pyridin-2-amine
CID 106141347
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
N-(5-chloro-2,2-dimethylpentyl)-2-(trifluoromethyl)aniline
CID 114149158

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine (CID 106142341) is N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine is CC(C)(CCCCl)CNc1ncccn1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine?
The InChIKey is WXUXJPDZQHCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-11(2,5-3-6-12)9-15-10-13-7-4-8-14-10/h4,7-8H,3,5-6,9H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine?
N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)pyrimidin-2-amine is sourced from PubChem (CID 106142341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).