N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine

C13H17N3S — CID 65245675

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cc(C)c(C)s2)n1
InChIInChI=1S/C13H17N3S/c1-8-5-12(17-11(8)4)7-14-13-15-9(2)6-10(3)16-13/h5-6H,7H2,1-4H3,(H,14,15,16)
InChIKeyKLEIQRXWDGYUQR-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.38
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 65245675) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID65245675
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cc(C)c(C)s2)n1
InChIInChI=1S/C13H17N3S/c1-8-5-12(17-11(8)4)7-14-13-15-9(2)6-10(3)16-13/h5-6H,7H2,1-4H3,(H,14,15,16)
InChIKeyKLEIQRXWDGYUQR-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80829137
4,6-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577485
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
N-[(4,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503146
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80842748
N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine
CID 65244096
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 65245690
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-fluorobenzene-1,4-diamine
CID 65246274
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
3-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylbenzene-1,3-diamine
CID 65246174
2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 65246171

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine (CID 65245675) is N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCc2cc(C)c(C)s2)n1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is KLEIQRXWDGYUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-5-12(17-11(8)4)7-14-13-15-9(2)6-10(3)16-13/h5-6H,7H2,1-4H3,(H,14,15,16).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 65245675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).