6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine

C13H24N6 — CID 80762545

IUPAC6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCN(CC)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-3-5-15-11-10-12(17-13(14)16-11)19-8-6-18(4-2)7-9-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyKVTIFGUNNKSUJV-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.02
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine

6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80762545) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID80762545
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCN(CC)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-3-5-15-11-10-12(17-13(14)16-11)19-8-6-18(4-2)7-9-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyKVTIFGUNNKSUJV-UHFFFAOYSA-N
XLogP1.02
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80834201
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
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-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 80803337
1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 80823753
4-N-butyl-6-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 124731002
4-[2-amino-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80843065
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
4-N-butyl-6-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 166198990

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine (CID 80762545) is 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(N2CCN(CC)CC2)nc(N)n1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is KVTIFGUNNKSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-3-5-15-11-10-12(17-13(14)16-11)19-8-6-18(4-2)7-9-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80762545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).