4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

C13H25N5 — CID 80769699

IUPAC4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCN(C)C)c1C(C)C
InChIInChI=1S/C13H25N5/c1-6-14-12-11(10(2)3)13(17-9-16-12)15-7-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWOSBJHVLEQIZIZ-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.01
Rot. Bonds7

About 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80769699) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80769699
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCN(C)C)c1C(C)C
InChIInChI=1S/C13H25N5/c1-6-14-12-11(10(2)3)13(17-9-16-12)15-7-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWOSBJHVLEQIZIZ-UHFFFAOYSA-N
XLogP2.01
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804395
4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777700
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118658
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
CID 80787854
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
6-N-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106424272
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80791096

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80769699) is 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(NCCN(C)C)c1C(C)C.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is WOSBJHVLEQIZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-6-14-12-11(10(2)3)13(17-9-16-12)15-7-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).