N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine

C12H18FN3S — CID 80638969

IUPACN-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCCS2)nc(C)c1F
InChIInChI=1S/C12H18FN3S/c1-3-14-12-10(13)8(2)15-11(16-12)9-6-4-5-7-17-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDHEVTCXGNICZQN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.31
Rot. Bonds3

About N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine

N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine (PubChem CID 80638969) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine
PubChem CID80638969
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC NameN-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCCS2)nc(C)c1F
InChIInChI=1S/C12H18FN3S/c1-3-14-12-10(13)8(2)15-11(16-12)9-6-4-5-7-17-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDHEVTCXGNICZQN-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine (CID 80638969) is N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine is CCNc1nc(C2CCCCS2)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine?
The InChIKey is DHEVTCXGNICZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c1-3-14-12-10(13)8(2)15-11(16-12)9-6-4-5-7-17-9/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine?
N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-6-methyl-2-(thian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80638969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).