2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine

C14H25N5 — CID 80934561

IUPAC2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(N2CCN(CC)C(C)C2)n1
InChIInChI=1S/C14H25N5/c1-5-12-16-13(15-4)9-14(17-12)19-8-7-18(6-2)11(3)10-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyPNOBMTSRVYTHPR-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.61
Rot. Bonds4

About 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine

2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 80934561) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine
PubChem CID80934561
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(N2CCN(CC)C(C)C2)n1
InChIInChI=1S/C14H25N5/c1-5-12-16-13(15-4)9-14(17-12)19-8-7-18(6-2)11(3)10-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyPNOBMTSRVYTHPR-UHFFFAOYSA-N
XLogP1.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine (CID 80934561) is 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(N2CCN(CC)C(C)C2)n1.
What is the InChIKey of 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is PNOBMTSRVYTHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-12-16-13(15-4)9-14(17-12)19-8-7-18(6-2)11(3)10-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17).
What are the key properties of 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine?
2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80934561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).