4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine

C14H23ClN4 — CID 80951651

IUPAC4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
SMILESCC(C)c1nc(Cl)cc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-10(2)13-16-11(15)8-12(17-13)19-7-6-18(5)14(3,4)9-19/h8,10H,6-7,9H2,1-5H3
InChIKeySKKXRVZPEXWQEM-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.78
Rot. Bonds2

About 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine

4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine (PubChem CID 80951651) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
PubChem CID80951651
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
SMILESCC(C)c1nc(Cl)cc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C14H23ClN4/c1-10(2)13-16-11(15)8-12(17-13)19-7-6-18(5)14(3,4)9-19/h8,10H,6-7,9H2,1-5H3
InChIKeySKKXRVZPEXWQEM-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80959285
1-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80947995
4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
CID 66233004
4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine
CID 63634499
N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402560
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80951646
[3-chloro-6-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 63620622
3-(chloromethyl)-6-(3,3,4-trimethylpiperazin-1-yl)pyridazine
CID 63634840
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 80947798
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 80951632
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564
(2,2-dichloro-1-methylcyclopropyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 17404159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine (CID 80951651) is 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine is CC(C)c1nc(Cl)cc(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
The InChIKey is SKKXRVZPEXWQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-10(2)13-16-11(15)8-12(17-13)19-7-6-18(5)14(3,4)9-19/h8,10H,6-7,9H2,1-5H3.
What are the key properties of 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine?
4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine has a molecular weight of 282.82 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 80951651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).