4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

C15H22N4S — CID 80802390

IUPAC4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC(C)c2cc(C)sc2C)c1C
InChIInChI=1S/C15H22N4S/c1-8-7-13(11(4)20-8)10(3)17-15-9(2)14(16-6)18-12(5)19-15/h7,10H,1-6H3,(H2,16,17,18,19)
InChIKeyPGBDIXOBLHNAJG-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.99
Rot. Bonds4

About 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80802390) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80802390
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC(C)c2cc(C)sc2C)c1C
InChIInChI=1S/C15H22N4S/c1-8-7-13(11(4)20-8)10(3)17-15-9(2)14(16-6)18-12(5)19-15/h7,10H,1-6H3,(H2,16,17,18,19)
InChIKeyPGBDIXOBLHNAJG-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80803114
6-chloro-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine
CID 80979822
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169277
5-bromo-2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 79072973
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355042
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80765465
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133351246
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974893

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80802390) is 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NC(C)c2cc(C)sc2C)c1C.
What is the InChIKey of 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is PGBDIXOBLHNAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-8-7-13(11(4)20-8)10(3)17-15-9(2)14(16-6)18-12(5)19-15/h7,10H,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80802390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).