4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine

C11H23N7 — CID 69052223

IUPAC4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine
SMILESCN1CCN(CCC2(N)C=C(N)NC(N)=N2)CC1
InChIInChI=1S/C11H23N7/c1-17-4-6-18(7-5-17)3-2-11(14)8-9(12)15-10(13)16-11/h8H,2-7,12,14H2,1H3,(H3,13,15,16)
InChIKeyIGUUUUXPJDCTJC-UHFFFAOYSA-N
MW253.35 g/mol
LogP-2.00
Rot. Bonds3

About 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine

4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine (PubChem CID 69052223) has the molecular formula C11H23N7 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine
PubChem CID69052223
Molecular FormulaC11H23N7
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine
SMILESCN1CCN(CCC2(N)C=C(N)NC(N)=N2)CC1
InChIInChI=1S/C11H23N7/c1-17-4-6-18(7-5-17)3-2-11(14)8-9(12)15-10(13)16-11/h8H,2-7,12,14H2,1H3,(H3,13,15,16)
InChIKeyIGUUUUXPJDCTJC-UHFFFAOYSA-N
XLogP-2.00
TPSA108.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine (CID 69052223) is 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine is CN1CCN(CCC2(N)C=C(N)NC(N)=N2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine?
The InChIKey is IGUUUUXPJDCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7/c1-17-4-6-18(7-5-17)3-2-11(14)8-9(12)15-10(13)16-11/h8H,2-7,12,14H2,1H3,(H3,13,15,16).
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine?
4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine has a molecular weight of 253.35 g/mol, XLogP of -2.00, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 69052223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).