6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80950446

IUPAC6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCc2ccsc2)n1
InChIInChI=1S/C14H20N4S/c1-3-5-12-17-13(15-4-2)8-14(18-12)16-9-11-6-7-19-10-11/h6-8,10H,3-5,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyBXLNDOCDFSPNAH-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.53
Rot. Bonds7

About 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80950446) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80950446
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCc2ccsc2)n1
InChIInChI=1S/C14H20N4S/c1-3-5-12-17-13(15-4-2)8-14(18-12)16-9-11-6-7-19-10-11/h6-8,10H,3-5,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyBXLNDOCDFSPNAH-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80937932
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-N-ethyl-4-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771223
2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80827775
6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 60965790

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80950446) is 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NCc2ccsc2)n1.
What is the InChIKey of 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is BXLNDOCDFSPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-5-12-17-13(15-4-2)8-14(18-12)16-9-11-6-7-19-10-11/h6-8,10H,3-5,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80950446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).