6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine

C15H28N4 — CID 80822476

IUPAC6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1ncnc(NCC)c1CCC
InChIInChI=1S/C15H28N4/c1-5-8-10-12(4)19-15-13(9-6-2)14(16-7-3)17-11-18-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyDMNFECBRPHIECB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.85
Rot. Bonds9

About 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine (PubChem CID 80822476) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
PubChem CID80822476
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1ncnc(NCC)c1CCC
InChIInChI=1S/C15H28N4/c1-5-8-10-12(4)19-15-13(9-6-2)14(16-7-3)17-11-18-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyDMNFECBRPHIECB-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904538
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 113473144
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845106
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine (CID 80822476) is 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine is CCCCC(C)Nc1ncnc(NCC)c1CCC.
What is the InChIKey of 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine?
The InChIKey is DMNFECBRPHIECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-8-10-12(4)19-15-13(9-6-2)14(16-7-3)17-11-18-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80822476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).