6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine

C14H21N5S — CID 80995753

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2cc(C)nn2C)c1C
InChIInChI=1S/C14H21N5S/c1-6-11-16-13(15-7-2)10(4)14(17-11)20-12-8-9(3)18-19(12)5/h8H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyLKCDNOLZTHFLDP-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.97
Rot. Bonds5

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80995753) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80995753
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2cc(C)nn2C)c1C
InChIInChI=1S/C14H21N5S/c1-6-11-16-13(15-7-2)10(4)14(17-11)20-12-8-9(3)18-19(12)5/h8H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyLKCDNOLZTHFLDP-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001759
2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80990475
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine
CID 80889836
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine
CID 80887617
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334889
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80995753) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(Sc2cc(C)nn2C)c1C.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is LKCDNOLZTHFLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-6-11-16-13(15-7-2)10(4)14(17-11)20-12-8-9(3)18-19(12)5/h8H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80995753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).