4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine

C14H26N4 — CID 80844938

IUPAC4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)C(C)C)c1CC
InChIInChI=1S/C14H26N4/c1-6-12-13(15-7-2)17-9-18-14(12)16-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyIZNGLPNQZNUCLN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.17
Rot. Bonds7

About 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine

4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine (PubChem CID 80844938) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
PubChem CID80844938
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)C(C)C)c1CC
InChIInChI=1S/C14H26N4/c1-6-12-13(15-7-2)17-9-18-14(12)16-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyIZNGLPNQZNUCLN-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine (CID 80844938) is 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine is CCNc1ncnc(NCC(C)C(C)C)c1CC.
What is the InChIKey of 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine?
The InChIKey is IZNGLPNQZNUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-12-13(15-7-2)17-9-18-14(12)16-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80844938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).