2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine

C14H20N4S — CID 80992974

IUPAC2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2cscc2C)n1
InChIInChI=1S/C14H20N4S/c1-5-12-17-13(15-4)10(3)14(18-12)16-6-11-8-19-7-9(11)2/h7-8H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyPHCSJLOWZYNUCF-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.37
Rot. Bonds5

About 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine

2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80992974) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80992974
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2cscc2C)n1
InChIInChI=1S/C14H20N4S/c1-5-12-17-13(15-4)10(3)14(18-12)16-6-11-8-19-7-9(11)2/h7-8H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyPHCSJLOWZYNUCF-UHFFFAOYSA-N
XLogP3.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957898
2-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80942307
2-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80942411
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 81006959
2-ethyl-6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378623
5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80991525
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106304573
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine (CID 80992974) is 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCc2cscc2C)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is PHCSJLOWZYNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-5-12-17-13(15-4)10(3)14(18-12)16-6-11-8-19-7-9(11)2/h7-8H,5-6H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80992974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).