5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80767962

IUPAC5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)(C)CC)c1C
InChIInChI=1S/C13H24N4/c1-6-8-14-11-10(3)12(16-9-15-11)17-13(4,5)7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWKOCQUUTCFNDBN-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.21
Rot. Bonds6

About 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine

5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80767962) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80767962
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)(C)CC)c1C
InChIInChI=1S/C13H24N4/c1-6-8-14-11-10(3)12(16-9-15-11)17-13(4,5)7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyWKOCQUUTCFNDBN-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967
ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80767962) is 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)(C)CC)c1C.
What is the InChIKey of 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WKOCQUUTCFNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-8-14-11-10(3)12(16-9-15-11)17-13(4,5)7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine?
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80767962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).