6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine

C16H29N5 — CID 80803428

IUPAC6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN(C(C)CC)CC2)c1CC
InChIInChI=1S/C16H29N5/c1-5-13(4)20-8-10-21(11-9-20)16-14(6-2)15(17-7-3)18-12-19-16/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyQEKOCGHOYBGQGC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.39
Rot. Bonds6

About 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine

6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine (PubChem CID 80803428) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
PubChem CID80803428
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN(C(C)CC)CC2)c1CC
InChIInChI=1S/C16H29N5/c1-5-13(4)20-8-10-21(11-9-20)16-14(6-2)15(17-7-3)18-12-19-16/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyQEKOCGHOYBGQGC-UHFFFAOYSA-N
XLogP2.39
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80805279
N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80833870
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
CID 107460210
5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 114072213
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
CID 80837228
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823670
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
6-(4-butan-2-ylpiperazin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80940626
N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine (CID 80803428) is 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(N2CCN(C(C)CC)CC2)c1CC.
What is the InChIKey of 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is QEKOCGHOYBGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-13(4)20-8-10-21(11-9-20)16-14(6-2)15(17-7-3)18-12-19-16/h12-13H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine?
6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).