4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine

C12H19ClN4 — CID 80663694

IUPAC4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CC(C)NC(C)C2)n1
InChIInChI=1S/C12H19ClN4/c1-8-4-11(13)16-12(15-8)7-17-5-9(2)14-10(3)6-17/h4,9-10,14H,5-7H2,1-3H3
InChIKeyIULNCANZCWYFJQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.62
Rot. Bonds2

About 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine

4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine (PubChem CID 80663694) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine
PubChem CID80663694
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CC(C)NC(C)C2)n1
InChIInChI=1S/C12H19ClN4/c1-8-4-11(13)16-12(15-8)7-17-5-9(2)14-10(3)6-17/h4,9-10,14H,5-7H2,1-3H3
InChIKeyIULNCANZCWYFJQ-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine
CID 80664820
4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 164662191
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine
CID 80663756
4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 131086620
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 82893576
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 80663533
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
CID 81460276
4-chloro-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80664010
6-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199970
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 80664842
methyl 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80663871
[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine
CID 80663933

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine (CID 80663694) is 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine is Cc1cc(Cl)nc(CN2CC(C)NC(C)C2)n1.
What is the InChIKey of 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine?
The InChIKey is IULNCANZCWYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8-4-11(13)16-12(15-8)7-17-5-9(2)14-10(3)6-17/h4,9-10,14H,5-7H2,1-3H3.
What are the key properties of 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine?
4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine has a molecular weight of 254.76 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 80663694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).