2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C15H22N4S — CID 80994020

IUPAC2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCc2cccs2)c1C
InChIInChI=1S/C15H22N4S/c1-4-8-16-14-11(3)15(19-13(5-2)18-14)17-10-12-7-6-9-20-12/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyLZVXJPIHPVEUCL-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.84
Rot. Bonds7

About 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80994020) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80994020
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCc2cccs2)c1C
InChIInChI=1S/C15H22N4S/c1-4-8-16-14-11(3)15(19-13(5-2)18-14)17-10-12-7-6-9-20-12/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyLZVXJPIHPVEUCL-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66304693
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262
2-ethyl-5-methyl-6-N-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983690
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
5-nitro-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80771549
6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80994020) is 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCCNc1nc(CC)nc(NCc2cccs2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is LZVXJPIHPVEUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-8-16-14-11(3)15(19-13(5-2)18-14)17-10-12-7-6-9-20-12/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80994020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).