6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine

C14H26N6 — CID 80834201

IUPAC6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCN(CC)C(C)C2)nc(N)n1
InChIInChI=1S/C14H26N6/c1-4-6-16-12-9-13(18-14(15)17-12)20-8-7-19(5-2)11(3)10-20/h9,11H,4-8,10H2,1-3H3,(H3,15,16,17,18)
InChIKeyFCJBVHSVFYAPNJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.41
Rot. Bonds5

About 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine

6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80834201) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80834201
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCN(CC)C(C)C2)nc(N)n1
InChIInChI=1S/C14H26N6/c1-4-6-16-12-9-13(18-14(15)17-12)20-8-7-19(5-2)11(3)10-20/h9,11H,4-8,10H2,1-3H3,(H3,15,16,17,18)
InChIKeyFCJBVHSVFYAPNJ-UHFFFAOYSA-N
XLogP1.41
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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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Related Compounds

6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834370
6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 67157216
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
CID 115563060
[2-cyclopropyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80968558
2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine
CID 80934561
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
1-[2-amino-6-(butylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048402
8-[2-amino-6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845815
4-N-butyl-6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 166198990
N-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 80834830

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine (CID 80834201) is 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(N2CCN(CC)C(C)C2)nc(N)n1.
What is the InChIKey of 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is FCJBVHSVFYAPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-4-6-16-12-9-13(18-14(15)17-12)20-8-7-19(5-2)11(3)10-20/h9,11H,4-8,10H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80834201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).