4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine

C10H15ClN4 — CID 76837839

IUPAC4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)ncn2)CC(C)N1
InChIInChI=1S/C10H15ClN4/c1-7-4-15(5-8(2)14-7)10-3-9(11)12-6-13-10/h3,6-8,14H,4-5H2,1-2H3
InChIKeyOMQDWPWVDSLRDU-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.32
Rot. Bonds1

About 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine

4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine (PubChem CID 76837839) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
PubChem CID76837839
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1CN(c2cc(Cl)ncn2)CC(C)N1
InChIInChI=1S/C10H15ClN4/c1-7-4-15(5-8(2)14-7)10-3-9(11)12-6-13-10/h3,6-8,14H,4-5H2,1-2H3
InChIKeyOMQDWPWVDSLRDU-UHFFFAOYSA-N
XLogP1.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
CID 87290230
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883
(3aR,6aS)-5-(6-chloropyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129359487
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
4-chloro-6-[(3R)-3-ethynylpiperazin-1-yl]pyrimidine
CID 142556800
4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine
CID 133484522
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
2-(6-chloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 22309526
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine (CID 76837839) is 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine is CC1CN(c2cc(Cl)ncn2)CC(C)N1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
The InChIKey is OMQDWPWVDSLRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-4-15(5-8(2)14-7)10-3-9(11)12-6-13-10/h3,6-8,14H,4-5H2,1-2H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine?
4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine has a molecular weight of 226.71 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 76837839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).