2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine

C14H26N6 — CID 83027383

IUPAC2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NN2CCN(C)CC2)c1C
InChIInChI=1S/C14H26N6/c1-5-6-15-13-11(2)14(17-12(3)16-13)18-20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyJYJVQEVAJJEIJL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.49
Rot. Bonds5

About 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 83027383) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID83027383
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NN2CCN(C)CC2)c1C
InChIInChI=1S/C14H26N6/c1-5-6-15-13-11(2)14(17-12(3)16-13)18-20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyJYJVQEVAJJEIJL-UHFFFAOYSA-N
XLogP1.49
TPSA56.32 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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
CID 83027220
2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 83027856
2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327505
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791800
2-N-(4-methylpiperazin-1-yl)-6-N-propylpyrazine-2,6-diamine
CID 83028182
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
6-chloro-2-ethyl-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83023699

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine (CID 83027383) is 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NN2CCN(C)CC2)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JYJVQEVAJJEIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-5-6-15-13-11(2)14(17-12(3)16-13)18-20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 83027383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).