N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine

C9H14ClN3O — CID 65036818

IUPACN-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC(C)CCl)n1
InChIInChI=1S/C9H14ClN3O/c1-7(5-10)6-12-9-11-4-3-8(13-9)14-2/h3-4,7H,5-6H2,1-2H3,(H,11,12,13)
InChIKeyFFERXKOQINMJLU-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.77
Rot. Bonds5

About N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine

N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine (PubChem CID 65036818) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
PubChem CID65036818
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC(C)CCl)n1
InChIInChI=1S/C9H14ClN3O/c1-7(5-10)6-12-9-11-4-3-8(13-9)14-2/h3-4,7H,5-6H2,1-2H3,(H,11,12,13)
InChIKeyFFERXKOQINMJLU-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 56684317
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
CID 172904275
N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine (CID 65036818) is N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine is COc1ccnc(NCC(C)CCl)n1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine?
The InChIKey is FFERXKOQINMJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-7(5-10)6-12-9-11-4-3-8(13-9)14-2/h3-4,7H,5-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine?
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine has a molecular weight of 215.68 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 65036818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).