6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine

C14H26N6 — CID 121440416

IUPAC6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCCCN1CCN(c2cc(N)nc(NCC)n2)CC1
InChIInChI=1S/C14H26N6/c1-3-5-6-19-7-9-20(10-8-19)13-11-12(15)17-14(18-13)16-4-2/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeySMMSHBUTOHIUND-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.41
Rot. Bonds6

About 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine

6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 121440416) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID121440416
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCCCN1CCN(c2cc(N)nc(NCC)n2)CC1
InChIInChI=1S/C14H26N6/c1-3-5-6-19-7-9-20(10-8-19)13-11-12(15)17-14(18-13)16-4-2/h11H,3-10H2,1-2H3,(H3,15,16,17,18)
InChIKeySMMSHBUTOHIUND-UHFFFAOYSA-N
XLogP1.41
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine (CID 121440416) is 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine is CCCCN1CCN(c2cc(N)nc(NCC)n2)CC1.
What is the InChIKey of 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is SMMSHBUTOHIUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-3-5-6-19-7-9-20(10-8-19)13-11-12(15)17-14(18-13)16-4-2/h11H,3-10H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine?
6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 121440416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).