N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine

C9H14ClN3 — CID 115363809

IUPACN-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine
SMILESCC(C)(CCl)CNc1ncccn1
InChIInChI=1S/C9H14ClN3/c1-9(2,6-10)7-13-8-11-4-3-5-12-8/h3-5H,6-7H2,1-2H3,(H,11,12,13)
InChIKeyAATWRNMLXKGRJO-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.15
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine

N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine (PubChem CID 115363809) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine
PubChem CID115363809
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine
SMILESCC(C)(CCl)CNc1ncccn1
InChIInChI=1S/C9H14ClN3/c1-9(2,6-10)7-13-8-11-4-3-5-12-8/h3-5H,6-7H2,1-2H3,(H,11,12,13)
InChIKeyAATWRNMLXKGRJO-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.15
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

2-Aminopyrimidine
CID 7978
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
N-methylpyrimidin-2-amine
CID 265776
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
2-Chloropyrimidine
CID 74404
2-Amino-4-chloropyrimidine
CID 223332
2-Chloro-4-aminopyrimidine
CID 345752
2-Pyrimidinamine, hydrochloride (1:?)
CID 21283515
N4-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 80796929
2-Dimethylaminopyrimidine
CID 521717
N-allyl-N-(2-pyrimidinyl)amine
CID 3281441
N-ethylpyrimidin-2-amine
CID 12692691

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine (CID 115363809) is N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine is CC(C)(CCl)CNc1ncccn1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine?
The InChIKey is AATWRNMLXKGRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-9(2,6-10)7-13-8-11-4-3-5-12-8/h3-5H,6-7H2,1-2H3,(H,11,12,13).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine?
N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine has a molecular weight of 199.69 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 115363809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).