4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine

C14H26N4S — CID 112665331

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCC(CSC)N(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C14H26N4S/c1-6-11(9-19-5)18(4)13-8-16-14(10(2)3)17-12(13)7-15/h8,10-11H,6-7,9,15H2,1-5H3
InChIKeyUFVNKDIVNGPOLZ-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.64
Rot. Bonds7

About 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine

4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 112665331) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID112665331
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCC(CSC)N(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C14H26N4S/c1-6-11(9-19-5)18(4)13-8-16-14(10(2)3)17-12(13)7-15/h8,10-11H,6-7,9,15H2,1-5H3
InChIKeyUFVNKDIVNGPOLZ-UHFFFAOYSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine (CID 112665331) is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine is CCC(CSC)N(C)c1cnc(C(C)C)nc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is UFVNKDIVNGPOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-6-11(9-19-5)18(4)13-8-16-14(10(2)3)17-12(13)7-15/h8,10-11H,6-7,9,15H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 282.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 112665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).