4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine

C15H28N4 — CID 80993958

IUPAC4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(CC)CCC)c1C
InChIInChI=1S/C15H28N4/c1-6-10-16-14-12(5)15(18-13(8-3)17-14)19(9-4)11-7-2/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyLLXBLVZHNMQMIL-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.41
Rot. Bonds8

About 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine

4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine (PubChem CID 80993958) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
PubChem CID80993958
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(CC)CCC)c1C
InChIInChI=1S/C15H28N4/c1-6-10-16-14-12(5)15(18-13(8-3)17-14)19(9-4)11-7-2/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyLLXBLVZHNMQMIL-UHFFFAOYSA-N
XLogP3.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80983476
2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80987908
4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994284
2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
N,2-diethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80994825
6-N,2-diethyl-5-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987776
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80994953

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine (CID 80993958) is 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine is CCCNc1nc(CC)nc(N(CC)CCC)c1C.
What is the InChIKey of 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is LLXBLVZHNMQMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-10-16-14-12(5)15(18-13(8-3)17-14)19(9-4)11-7-2/h6-11H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine?
4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80993958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).