N-(thiolan-3-ylmethyl)pyrimidin-5-amine

C9H13N3S — CID 107588267

IUPACN-(thiolan-3-ylmethyl)pyrimidin-5-amine
SMILESc1ncc(NCC2CCSC2)cn1
InChIInChI=1S/C9H13N3S/c1-2-13-6-8(1)3-12-9-4-10-7-11-5-9/h4-5,7-8,12H,1-3,6H2
InChIKeySFFKMZHMVHGTQM-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.64
Rot. Bonds3

About N-(thiolan-3-ylmethyl)pyrimidin-5-amine

N-(thiolan-3-ylmethyl)pyrimidin-5-amine (PubChem CID 107588267) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)pyrimidin-5-amine
PubChem CID107588267
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-(thiolan-3-ylmethyl)pyrimidin-5-amine
SMILESc1ncc(NCC2CCSC2)cn1
InChIInChI=1S/C9H13N3S/c1-2-13-6-8(1)3-12-9-4-10-7-11-5-9/h4-5,7-8,12H,1-3,6H2
InChIKeySFFKMZHMVHGTQM-UHFFFAOYSA-N
XLogP1.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 130485396
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
6-methylsulfonyl-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 107131447
3,4,5-trimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131142
2-[4-(thiolan-3-ylmethylamino)phenyl]acetonitrile
CID 107131639
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
3-ethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131230
N-(thiolan-3-ylmethyl)-4-(trifluoromethoxy)aniline
CID 107131177
2-methyl-4-(thiolan-3-ylmethylamino)phenol
CID 107132308
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)pyrimidin-5-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)pyrimidin-5-amine (CID 107588267) is N-(thiolan-3-ylmethyl)pyrimidin-5-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)pyrimidin-5-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)pyrimidin-5-amine is c1ncc(NCC2CCSC2)cn1.
What is the InChIKey of N-(thiolan-3-ylmethyl)pyrimidin-5-amine?
The InChIKey is SFFKMZHMVHGTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-13-6-8(1)3-12-9-4-10-7-11-5-9/h4-5,7-8,12H,1-3,6H2.
What are the key properties of N-(thiolan-3-ylmethyl)pyrimidin-5-amine?
N-(thiolan-3-ylmethyl)pyrimidin-5-amine has a molecular weight of 195.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 107588267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).