N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

C16H29N5 — CID 62280514

IUPACN-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CCN(CC)CC1
InChIInChI=1S/C16H29N5/c1-5-17-11-14-15(12-18-16(19-14)13(3)4)21-9-7-20(6-2)8-10-21/h12-13,17H,5-11H2,1-4H3
InChIKeyXIFFHYDUPGOGRT-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.85
Rot. Bonds6

About N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 62280514) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
PubChem CID62280514
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CCN(CC)CC1
InChIInChI=1S/C16H29N5/c1-5-17-11-14-15(12-18-16(19-14)13(3)4)21-9-7-20(6-2)8-10-21/h12-13,17H,5-11H2,1-4H3
InChIKeyXIFFHYDUPGOGRT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (CID 62280514) is N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1N1CCN(CC)CC1.
What is the InChIKey of N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is XIFFHYDUPGOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-17-11-14-15(12-18-16(19-14)13(3)4)21-9-7-20(6-2)8-10-21/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62280514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).