4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine

C13H25N5 — CID 19136831

IUPAC4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(NCCC(C)C)c1N
InChIInChI=1S/C13H25N5/c1-5-18(6-2)13-11(14)12(16-9-17-13)15-8-7-10(3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyVKNXEVNCSWQJQZ-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.36
Rot. Bonds7

About 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine

4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine (PubChem CID 19136831) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
PubChem CID19136831
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(NCCC(C)C)c1N
InChIInChI=1S/C13H25N5/c1-5-18(6-2)13-11(14)12(16-9-17-13)15-8-7-10(3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyVKNXEVNCSWQJQZ-UHFFFAOYSA-N
XLogP2.36
TPSA67.07 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N,6-N-triethylpyrimidine-4,5,6-triamine
CID 19135168
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144101
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80775397
4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138287
4-N,4-N-bis(2-methylpropyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542972
4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19153133
2-N-(3-methylbutyl)pyridine-2,3,4-triamine
CID 130593940

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine (CID 19136831) is 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine is CCN(CC)c1ncnc(NCCC(C)C)c1N.
What is the InChIKey of 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
The InChIKey is VKNXEVNCSWQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-18(6-2)13-11(14)12(16-9-17-13)15-8-7-10(3)4/h9-10H,5-8,14H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine?
4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine has a molecular weight of 251.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).