5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C16H24N4S — CID 80984277

IUPAC5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(NCc2ccsc2)c1C
InChIInChI=1S/C16H24N4S/c1-4-6-14-19-15(17-8-5-2)12(3)16(20-14)18-10-13-7-9-21-11-13/h7,9,11H,4-6,8,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyIFMSXPYHAYHYJF-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.23
Rot. Bonds8

About 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80984277) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80984277
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CCC)nc(NCc2ccsc2)c1C
InChIInChI=1S/C16H24N4S/c1-4-6-14-19-15(17-8-5-2)12(3)16(20-14)18-10-13-7-9-21-11-13/h7,9,11H,4-6,8,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyIFMSXPYHAYHYJF-UHFFFAOYSA-N
XLogP4.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80984277) is 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCCNc1nc(CCC)nc(NCc2ccsc2)c1C.
What is the InChIKey of 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is IFMSXPYHAYHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-6-14-19-15(17-8-5-2)12(3)16(20-14)18-10-13-7-9-21-11-13/h7,9,11H,4-6,8,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80984277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).