4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine

C13H24N6 — CID 80839219

IUPAC4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1CN(C)CCN1C
InChIInChI=1S/C13H24N6/c1-4-11-12(14)16-9-17-13(11)15-7-10-8-18(2)5-6-19(10)3/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyHHMQZQXLAPAPTQ-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.28
Rot. Bonds4

About 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine

4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine (PubChem CID 80839219) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
PubChem CID80839219
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCC1CN(C)CCN1C
InChIInChI=1S/C13H24N6/c1-4-11-12(14)16-9-17-13(11)15-7-10-8-18(2)5-6-19(10)3/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyHHMQZQXLAPAPTQ-UHFFFAOYSA-N
XLogP0.28
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine (CID 80839219) is 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NCC1CN(C)CCN1C.
What is the InChIKey of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine?
The InChIKey is HHMQZQXLAPAPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-11-12(14)16-9-17-13(11)15-7-10-8-18(2)5-6-19(10)3/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine?
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80839219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).