2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine

C15H27N5 — CID 82166117

IUPAC2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1cc(C(C)C)nc(N2CCN(C(C)CN)CC2)n1
InChIInChI=1S/C15H27N5/c1-11(2)14-9-12(3)17-15(18-14)20-7-5-19(6-8-20)13(4)10-16/h9,11,13H,5-8,10,16H2,1-4H3
InChIKeyQDXMSONCNJQHML-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine

2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 82166117) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID82166117
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1cc(C(C)C)nc(N2CCN(C(C)CN)CC2)n1
InChIInChI=1S/C15H27N5/c1-11(2)14-9-12(3)17-15(18-14)20-7-5-19(6-8-20)13(4)10-16/h9,11,13H,5-8,10,16H2,1-4H3
InChIKeyQDXMSONCNJQHML-UHFFFAOYSA-N
XLogP1.38
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
CID 99827479
1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 55204902
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
(2S)-2-methyl-4-[2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]morpholine
CID 99837346
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 113491546
[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 146127363
2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
CID 115973290
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
(3S,4S)-4-methyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 114085569
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012258
[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine
CID 62773611

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine (CID 82166117) is 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine is Cc1cc(C(C)C)nc(N2CCN(C(C)CN)CC2)n1.
What is the InChIKey of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is QDXMSONCNJQHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(2)14-9-12(3)17-15(18-14)20-7-5-19(6-8-20)13(4)10-16/h9,11,13H,5-8,10,16H2,1-4H3.
What are the key properties of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine?
2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82166117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).