2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

C16H29N5 — CID 154274190

IUPAC2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(c2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C16H29N5/c1-16(2,3)14-12-15(18-13-17-14)21-10-8-20(9-11-21)7-6-19(4)5/h12-13H,6-11H2,1-5H3
InChIKeyABKXERLDEYRHQI-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 154274190) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID154274190
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(c2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C16H29N5/c1-16(2,3)14-12-15(18-13-17-14)21-10-8-20(9-11-21)7-6-19(4)5/h12-13H,6-11H2,1-5H3
InChIKeyABKXERLDEYRHQI-UHFFFAOYSA-N
XLogP1.46
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine
CID 67301765
2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-5-chloropyrimidine
CID 139027065
4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-tert-butylpyrimidine
CID 139027092
[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-pyridinyl]methanol
CID 62890369
tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126850013
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
4-tert-butyl-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 138033495
7-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 139027268
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-methylpyrimidin-4-amine
CID 80825002
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004
2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139028630

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (CID 154274190) is 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(c2cc(C(C)(C)C)ncn2)CC1.
What is the InChIKey of 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is ABKXERLDEYRHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-16(2,3)14-12-15(18-13-17-14)21-10-8-20(9-11-21)7-6-19(4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 154274190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).