N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine

C10H15N3S2 — CID 115689494

IUPACN-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC2CSCCS2)ncn1
InChIInChI=1S/C10H15N3S2/c1-8-4-10(13-7-12-8)11-5-9-6-14-2-3-15-9/h4,7,9H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyPYXGTWLJJHJIMU-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.05
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine

N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine (PubChem CID 115689494) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
PubChem CID115689494
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC NameN-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC2CSCCS2)ncn1
InChIInChI=1S/C10H15N3S2/c1-8-4-10(13-7-12-8)11-5-9-6-14-2-3-15-9/h4,7,9H,2-3,5-6H2,1H3,(H,11,12,13)
InChIKeyPYXGTWLJJHJIMU-UHFFFAOYSA-N
XLogP2.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115685335
6-chloro-N-(1,4-dithian-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 113489554
4-N-(1,4-dithian-2-ylmethyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 115689500
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678
2-(1,4-dithian-2-ylmethylamino)-6-ethylpyridine-4-carboxylic acid
CID 113489440
N-(1,4-dithian-2-ylmethyl)-5-nitropyridin-2-amine
CID 113253344
3-bromo-2-N-(1,4-dithian-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 113489304
3,5-dichloro-6-N-(1,4-dithian-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102759928
6-fluoro-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 115417210

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine (CID 115689494) is N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine is Cc1cc(NCC2CSCCS2)ncn1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine?
The InChIKey is PYXGTWLJJHJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-8-4-10(13-7-12-8)11-5-9-6-14-2-3-15-9/h4,7,9H,2-3,5-6H2,1H3,(H,11,12,13).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine?
N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 115689494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).