4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine

C14H26N4 — CID 115265860

IUPAC4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N(C)CCC(C)(C)C)ncn1
InChIInChI=1S/C14H26N4/c1-11(2)17-12-9-13(16-10-15-12)18(6)8-7-14(3,4)5/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyGSYYFVQWCAUVAI-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.17
Rot. Bonds5

About 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine

4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 115265860) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID115265860
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N(C)CCC(C)(C)C)ncn1
InChIInChI=1S/C14H26N4/c1-11(2)17-12-9-13(16-10-15-12)18(6)8-7-14(3,4)5/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyGSYYFVQWCAUVAI-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N,6-N-di(propan-2-yl)pyrimidine-4,6-diamine
CID 115265770
6-N-(3-amino-2-methylpropyl)-4-N-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 115264024
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
4-N-methyl-4-N-(2-methylphenyl)-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265781
2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264319
3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811502
4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]-4-N-propylpyrimidine-4,6-diamine
CID 115264458
4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265789
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934
6-[1-(dimethylamino)-3-methylbutyl]-N-propan-2-ylpyrimidin-4-amine
CID 59376836
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine (CID 115265860) is 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)Nc1cc(N(C)CCC(C)(C)C)ncn1.
What is the InChIKey of 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is GSYYFVQWCAUVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)17-12-9-13(16-10-15-12)18(6)8-7-14(3,4)5/h9-11H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutyl)-4-N-methyl-6-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).