4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine

C15H28N4 — CID 80775397

IUPAC4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC)CC(C)C)c1CC
InChIInChI=1S/C15H28N4/c1-6-9-16-14-13(7-2)15(18-11-17-14)19(8-3)10-12(4)5/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyZMISTHSSKQJHGN-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.34
Rot. Bonds8

About 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine

4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80775397) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80775397
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC)CC(C)C)c1CC
InChIInChI=1S/C15H28N4/c1-6-9-16-14-13(7-2)15(18-11-17-14)19(8-3)10-12(4)5/h11-12H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyZMISTHSSKQJHGN-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80787176
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901167
4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19136831
4-N-ethyl-4-N-(2-methylbutyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80835262
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383

Frequently Asked Questions

What is the IUPAC name of 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine (CID 80775397) is 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(CC)CC(C)C)c1CC.
What is the InChIKey of 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZMISTHSSKQJHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-9-16-14-13(7-2)15(18-11-17-14)19(8-3)10-12(4)5/h11-12H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80775397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).