N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine

C12H20ClN3 — CID 106117297

IUPACN-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
SMILESCCCC(CCCl)CNc1ccnc(C)n1
InChIInChI=1S/C12H20ClN3/c1-3-4-11(5-7-13)9-15-12-6-8-14-10(2)16-12/h6,8,11H,3-5,7,9H2,1-2H3,(H,14,15,16)
InChIKeyLCHRVMRJMWJHEV-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine

N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine (PubChem CID 106117297) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
PubChem CID106117297
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
SMILESCCCC(CCCl)CNc1ccnc(C)n1
InChIInChI=1S/C12H20ClN3/c1-3-4-11(5-7-13)9-15-12-6-8-14-10(2)16-12/h6,8,11H,3-5,7,9H2,1-2H3,(H,14,15,16)
InChIKeyLCHRVMRJMWJHEV-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.24
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-(4-chloro-2-methylbutyl)-2-methylpyrimidin-4-amine
CID 66089481
N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106117408
5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
CID 106117269
2-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 62769511
N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
CID 114145631
2-methyl-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 79033671
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
N-[2-(2-chloroethyl)pentyl]quinolin-4-amine
CID 106117398
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
N-[2-(2-chloroethyl)pentyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106117285

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine (CID 106117297) is N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine is CCCC(CCCl)CNc1ccnc(C)n1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine?
The InChIKey is LCHRVMRJMWJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-3-4-11(5-7-13)9-15-12-6-8-14-10(2)16-12/h6,8,11H,3-5,7,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine?
N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine has a molecular weight of 241.77 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106117297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).