6-propyl-2-(thian-2-yl)pyrimidin-4-amine

C12H19N3S — CID 80636664

IUPAC6-propyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCCc1cc(N)nc(C2CCCCS2)n1
InChIInChI=1S/C12H19N3S/c1-2-5-9-8-11(13)15-12(14-9)10-6-3-4-7-16-10/h8,10H,2-7H2,1H3,(H2,13,14,15)
InChIKeyGRMMTKKONBYZSM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.97
Rot. Bonds3

About 6-propyl-2-(thian-2-yl)pyrimidin-4-amine

6-propyl-2-(thian-2-yl)pyrimidin-4-amine (PubChem CID 80636664) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-propyl-2-(thian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propyl-2-(thian-2-yl)pyrimidin-4-amine
PubChem CID80636664
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-propyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCCc1cc(N)nc(C2CCCCS2)n1
InChIInChI=1S/C12H19N3S/c1-2-5-9-8-11(13)15-12(14-9)10-6-3-4-7-16-10/h8,10H,2-7H2,1H3,(H2,13,14,15)
InChIKeyGRMMTKKONBYZSM-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-propyl-2-(thian-2-yl)pyrimidin-4-amine (CID 80636664) is 6-propyl-2-(thian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-propyl-2-(thian-2-yl)pyrimidin-4-amine is CCCc1cc(N)nc(C2CCCCS2)n1.
What is the InChIKey of 6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The InChIKey is GRMMTKKONBYZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-5-9-8-11(13)15-12(14-9)10-6-3-4-7-16-10/h8,10H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 6-propyl-2-(thian-2-yl)pyrimidin-4-amine?
6-propyl-2-(thian-2-yl)pyrimidin-4-amine has a molecular weight of 237.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-(thian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80636664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).