6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine

C11H17N3S — CID 80612498

IUPAC6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCCS2)ncn1
InChIInChI=1S/C11H17N3S/c1-9-6-11(14-8-13-9)12-7-10-4-2-3-5-15-10/h6,8,10H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyGMKIFKWMIKOXIO-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.48
Rot. Bonds3

About 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine

6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80612498) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
PubChem CID80612498
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCCS2)ncn1
InChIInChI=1S/C11H17N3S/c1-9-6-11(14-8-13-9)12-7-10-4-2-3-5-15-10/h6,8,10H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyGMKIFKWMIKOXIO-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498
N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
CID 115689494
6-fluoro-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 115417210
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612105
4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136976470
6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine
CID 80586610
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
2-(thian-2-ylmethylamino)pyridine-4-carbothioamide
CID 80599805
2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80612818
5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
CID 80596479
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine (CID 80612498) is 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine is Cc1cc(NCC2CCCCS2)ncn1.
What is the InChIKey of 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is GMKIFKWMIKOXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-9-6-11(14-8-13-9)12-7-10-4-2-3-5-15-10/h6,8,10H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine?
6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 223.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80612498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).