4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine

C14H24N4 — CID 174159201

IUPAC4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(CC(C)(C)C)ncn2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)10-12-9-13(16-11-15-12)18-7-5-17(4)6-8-18/h9,11H,5-8,10H2,1-4H3
InChIKeyRDFHGELUPBNQFK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.82
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine

4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 174159201) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID174159201
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(CC(C)(C)C)ncn2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)10-12-9-13(16-11-15-12)18-7-5-17(4)6-8-18/h9,11H,5-8,10H2,1-4H3
InChIKeyRDFHGELUPBNQFK-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]piperidin-4-one
CID 126848340
4-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 56922206
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
butane;4-(4-methylpiperazin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 171070118
4-(2,2-dimethylpropyl)-6-methoxypyrimidine
CID 167358390
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
tert-butyl N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylcarbamate
CID 126849629
N-methyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)methanamine
CID 83878191
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921546
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343620

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine (CID 174159201) is 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(CC(C)(C)C)ncn2)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is RDFHGELUPBNQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(2,3)10-12-9-13(16-11-15-12)18-7-5-17(4)6-8-18/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine?
4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 248.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 174159201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).