5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80833383

IUPAC5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)CC)c1CC
InChIInChI=1S/C14H26N4/c1-5-8-15-13-12(7-3)14(18-10-17-13)16-9-11(4)6-2/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyXAYDDFWJWXGQIN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.32
Rot. Bonds8

About 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80833383) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80833383
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)CC)c1CC
InChIInChI=1S/C14H26N4/c1-5-8-15-13-12(7-3)14(18-10-17-13)16-9-11(4)6-2/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyXAYDDFWJWXGQIN-UHFFFAOYSA-N
XLogP3.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839291
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80845667
5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 80840015
4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80775397
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (CID 80833383) is 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC(C)CC)c1CC.
What is the InChIKey of 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XAYDDFWJWXGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-8-15-13-12(7-3)14(18-10-17-13)16-9-11(4)6-2/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).