N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine

C9H12ClN3 — CID 115637255

IUPACN-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine
SMILESC=C(Cl)CNc1cc(C)nc(C)n1
InChIInChI=1S/C9H12ClN3/c1-6(10)5-11-9-4-7(2)12-8(3)13-9/h4H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyYWHCOPQCYKSXJL-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.26
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine

N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 115637255) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID115637255
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine
SMILESC=C(Cl)CNc1cc(C)nc(C)n1
InChIInChI=1S/C9H12ClN3/c1-6(10)5-11-9-4-7(2)12-8(3)13-9/h4H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyYWHCOPQCYKSXJL-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
CID 106195518
N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 65027153
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395
1-N-(2,6-dimethylpyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 83619844
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644585
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
CID 115306257
N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
CID 104695502
N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine
CID 131181575

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine (CID 115637255) is N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine is C=C(Cl)CNc1cc(C)nc(C)n1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is YWHCOPQCYKSXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-6(10)5-11-9-4-7(2)12-8(3)13-9/h4H,1,5H2,2-3H3,(H,11,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine?
N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 115637255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).