5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine

C12H21N3S — CID 65131341

IUPAC5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(CSC(C)C)nc1NC
InChIInChI=1S/C12H21N3S/c1-6-10-9(4)14-11(7-16-8(2)3)15-12(10)13-5/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyBNMRPUHEWBUZRY-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.03
Rot. Bonds5

About 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine

5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 65131341) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID65131341
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(CSC(C)C)nc1NC
InChIInChI=1S/C12H21N3S/c1-6-10-9(4)14-11(7-16-8(2)3)15-12(10)13-5/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyBNMRPUHEWBUZRY-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693840
5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191080
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79412709
2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 65144264
N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 65134003
2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306899
5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305990
6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 65131807
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62191963
1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 65141299
5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150290

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine (CID 65131341) is 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine is CCc1c(C)nc(CSC(C)C)nc1NC.
What is the InChIKey of 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is BNMRPUHEWBUZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-6-10-9(4)14-11(7-16-8(2)3)15-12(10)13-5/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine?
5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 65131341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).