1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine

C13H21ClN4 — CID 83184413

IUPAC1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCc1nc(N2CCCC(N(C)C)C2)ncc1CCl
InChIInChI=1S/C13H21ClN4/c1-10-11(7-14)8-15-13(16-10)18-6-4-5-12(9-18)17(2)3/h8,12H,4-7,9H2,1-3H3
InChIKeyFIUUURYJZBKZKQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.05
Rot. Bonds3

About 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine

1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 83184413) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID83184413
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCc1nc(N2CCCC(N(C)C)C2)ncc1CCl
InChIInChI=1S/C13H21ClN4/c1-10-11(7-14)8-15-13(16-10)18-6-4-5-12(9-18)17(2)3/h8,12H,4-7,9H2,1-3H3
InChIKeyFIUUURYJZBKZKQ-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185385
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
5-(chloromethyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 83184569
N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83179302
5-(chloromethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 83184845
1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 104843511
5-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
CID 83183802
4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine
CID 83184055
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 83184745
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine
CID 83188783

Frequently Asked Questions

What is the IUPAC name of 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine (CID 83184413) is 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine is Cc1nc(N2CCCC(N(C)C)C2)ncc1CCl.
What is the InChIKey of 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is FIUUURYJZBKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-11(7-14)8-15-13(16-10)18-6-4-5-12(9-18)17(2)3/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 83184413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).