4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine

C11H14N4S — CID 115265487

IUPAC4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2sccc2C)ncn1
InChIInChI=1S/C11H14N4S/c1-8-4-5-16-11(8)15(3)10-6-9(12-2)13-7-14-10/h4-7H,1-3H3,(H,12,13,14)
InChIKeyMGQWXSYGVUNPPE-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.66
Rot. Bonds3

About 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine (PubChem CID 115265487) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine
PubChem CID115265487
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2sccc2C)ncn1
InChIInChI=1S/C11H14N4S/c1-8-4-5-16-11(8)15(3)10-6-9(12-2)13-7-14-10/h4-7H,1-3H3,(H,12,13,14)
InChIKeyMGQWXSYGVUNPPE-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-dimethyl-4-N-(2,4,5-trimethylphenyl)pyrimidine-4,6-diamine
CID 115265462
4-N-(5-chlorothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265446
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479
4-N-(5-bromothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265447
4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265439
4-N-(2-methoxy-5-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265440
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265529
4-N,6-N-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 115265586
4-N,6-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80839702
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine (CID 115265487) is 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine is CNc1cc(N(C)c2sccc2C)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine?
The InChIKey is MGQWXSYGVUNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-4-5-16-11(8)15(3)10-6-9(12-2)13-7-14-10/h4-7H,1-3H3,(H,12,13,14).
What are the key properties of 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-(3-methylthiophen-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115265487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).