6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine

C15H27N5 — CID 80955008

IUPAC6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H27N5/c1-5-6-13-17-12(16)11-14(18-13)19-7-9-20(10-8-19)15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyQMOLLSAWXMTISN-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.93
Rot. Bonds3

About 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine

6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 80955008) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine
PubChem CID80955008
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H27N5/c1-5-6-13-17-12(16)11-14(18-13)19-7-9-20(10-8-19)15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyQMOLLSAWXMTISN-UHFFFAOYSA-N
XLogP1.93
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80945393
[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80945816
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-propylpyrimidin-4-amine
CID 80955252
2-propylpyrimidine-4,6-diamine
CID 67304918
2-(6-amino-2-propylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863604
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971349
6-(2,2-dimethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 80955189
2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80939063
2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80939059

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine (CID 80955008) is 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(N2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is QMOLLSAWXMTISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-6-13-17-12(16)11-14(18-13)19-7-9-20(10-8-19)15(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine?
6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80955008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).