5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine

C10H15ClN4 — CID 82994053

IUPAC5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1(C)CN(c2ncc(Cl)cn2)CCN1
InChIInChI=1S/C10H15ClN4/c1-10(2)7-15(4-3-14-10)9-12-5-8(11)6-13-9/h5-6,14H,3-4,7H2,1-2H3
InChIKeyKCIRRCAMKPNVNN-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.32
Rot. Bonds1

About 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine

5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine (PubChem CID 82994053) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine
PubChem CID82994053
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine
SMILESCC1(C)CN(c2ncc(Cl)cn2)CCN1
InChIInChI=1S/C10H15ClN4/c1-10(2)7-15(4-3-14-10)9-12-5-8(11)6-13-9/h5-6,14H,3-4,7H2,1-2H3
InChIKeyKCIRRCAMKPNVNN-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

ethyl 2-(3,3-dimethylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 170606050
3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine
CID 64925442
1-(2,6-dichloro-4-fluorophenyl)-3,3-dimethylpiperazine
CID 83081367
3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
CID 82994580
2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
CID 82994740
1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine
CID 107604020
3,3-dimethyl-1-(6-methyl-2-pyridinyl)piperazine
CID 82993443
3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)piperazine
CID 82994220
1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
CID 82996710
7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
CID 170607583
2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 82993713
1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine
CID 57223351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine (CID 82994053) is 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine is CC1(C)CN(c2ncc(Cl)cn2)CCN1.
What is the InChIKey of 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine?
The InChIKey is KCIRRCAMKPNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-10(2)7-15(4-3-14-10)9-12-5-8(11)6-13-9/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine?
5-chloro-2-(3,3-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 5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 82994053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).