2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine

C9H14N4S2 — CID 116797435

IUPAC2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCC2CSCCS2)n1
InChIInChI=1S/C9H14N4S2/c10-8-1-2-11-9(13-8)12-5-7-6-14-3-4-15-7/h1-2,7H,3-6H2,(H3,10,11,12,13)
InChIKeyVUGANPCTXJJJDG-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.32
Rot. Bonds3

About 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine

2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 116797435) has the molecular formula C9H14N4S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID116797435
Molecular FormulaC9H14N4S2
Molecular Weight242.37 g/mol
Exact Mass242.07
IUPAC Name2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(NCC2CSCCS2)n1
InChIInChI=1S/C9H14N4S2/c10-8-1-2-11-9(13-8)12-5-7-6-14-3-4-15-7/h1-2,7H,3-6H2,(H3,10,11,12,13)
InChIKeyVUGANPCTXJJJDG-UHFFFAOYSA-N
XLogP1.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115685335
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201
4-N-(1,4-dithian-2-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 113489654
2-N-(1,4-dithian-2-ylmethyl)-1,3-benzoxazole-2,5-diamine
CID 113489297
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115689549
N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
CID 133368861
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
2-(thiolan-2-ylmethylamino)pyrimidine-4-carbothioamide
CID 107547797
3-bromo-2-N-(1,4-dithian-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 113489304
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine (CID 116797435) is 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine is Nc1ccnc(NCC2CSCCS2)n1.
What is the InChIKey of 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VUGANPCTXJJJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S2/c10-8-1-2-11-9(13-8)12-5-7-6-14-3-4-15-7/h1-2,7H,3-6H2,(H3,10,11,12,13).
What are the key properties of 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 242.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).