4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine

C16H28N4 — CID 174589543

IUPAC4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine
SMILESCC(C)(C)C1NCCN(c2ccncn2)C1C(C)(C)C
InChIInChI=1S/C16H28N4/c1-15(2,3)13-14(16(4,5)6)20(10-9-18-13)12-7-8-17-11-19-12/h7-8,11,13-14,18H,9-10H2,1-6H3
InChIKeyNVSDDELMOUWQSV-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.72
Rot. Bonds1

About 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine

4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine (PubChem CID 174589543) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine
PubChem CID174589543
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine
SMILESCC(C)(C)C1NCCN(c2ccncn2)C1C(C)(C)C
InChIInChI=1S/C16H28N4/c1-15(2,3)13-14(16(4,5)6)20(10-9-18-13)12-7-8-17-11-19-12/h7-8,11,13-14,18H,9-10H2,1-6H3
InChIKeyNVSDDELMOUWQSV-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-pyrimidin-4-ylpyrrolidin-3-amine
CID 130558111
4-(3-tert-butylpiperidin-1-yl)pyrimidine
CID 58394793
1,2,3-tritert-butylpiperazine
CID 166024715
azane;3-methyl-4-pyrimidin-4-ylmorpholine
CID 175987866
(5R)-5-methyl-1-pyrimidin-4-ylimidazolidin-2-one
CID 170628889
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962
1-pyrimidin-4-ylpyrrolidine-3,4-diamine
CID 90427993
4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
CID 166360323
1-pyrimidin-4-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103198177
2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid
CID 83197349
4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 114422310

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine (CID 174589543) is 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine is CC(C)(C)C1NCCN(c2ccncn2)C1C(C)(C)C.
What is the InChIKey of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
The InChIKey is NVSDDELMOUWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15(2,3)13-14(16(4,5)6)20(10-9-18-13)12-7-8-17-11-19-12/h7-8,11,13-14,18H,9-10H2,1-6H3.
What are the key properties of 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine?
4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-ditert-butylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 174589543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).