4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

C15H29N5S — CID 80771209

IUPAC4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)(C)CN(C)C)nc(SC)n1
InChIInChI=1S/C15H29N5S/c1-7-8-16-12-9-13(19-14(18-12)21-6)17-10-15(2,3)11-20(4)5/h9H,7-8,10-11H2,1-6H3,(H2,16,17,18,19)
InChIKeyAQQJTKNJEFQXQU-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.02
Rot. Bonds9

About 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80771209) has the molecular formula C15H29N5S and a molecular weight of 311.50 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80771209
Molecular FormulaC15H29N5S
Molecular Weight311.50 g/mol
Exact Mass311.21
IUPAC Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)(C)CN(C)C)nc(SC)n1
InChIInChI=1S/C15H29N5S/c1-7-8-16-12-9-13(19-14(18-12)21-6)17-10-15(2,3)11-20(4)5/h9H,7-8,10-11H2,1-6H3,(H2,16,17,18,19)
InChIKeyAQQJTKNJEFQXQU-UHFFFAOYSA-N
XLogP3.02
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine
CID 80786245
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
4-N-methyl-2-methylsulfanyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791496
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150416
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80815078
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
4-N-[4-(dimethylamino)butyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817211
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine (CID 80771209) is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC(C)(C)CN(C)C)nc(SC)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is AQQJTKNJEFQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5S/c1-7-8-16-12-9-13(19-14(18-12)21-6)17-10-15(2,3)11-20(4)5/h9H,7-8,10-11H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 311.50 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80771209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).