4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine

C10H16N4S — CID 80852498

IUPAC4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCCCS2)ncn1
InChIInChI=1S/C10H16N4S/c11-9-5-10(14-7-13-9)12-6-8-3-1-2-4-15-8/h5,7-8H,1-4,6H2,(H3,11,12,13,14)
InChIKeyDAIFRAZHOFGHBH-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.76
Rot. Bonds3

About 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80852498) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80852498
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCCCS2)ncn1
InChIInChI=1S/C10H16N4S/c11-9-5-10(14-7-13-9)12-6-8-3-1-2-4-15-8/h5,7-8H,1-4,6H2,(H3,11,12,13,14)
InChIKeyDAIFRAZHOFGHBH-UHFFFAOYSA-N
XLogP1.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
6-fluoro-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 115417210
6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80646834
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136976470
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810
2-(thian-2-ylmethylamino)pyridine-4-carbothioamide
CID 80599805
6-bromo-2-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796124
4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595606
4-N-(thian-2-ylmethyl)quinazoline-4,7-diamine
CID 80596359

Frequently Asked Questions

What is the IUPAC name of 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine (CID 80852498) is 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine is Nc1cc(NCC2CCCCS2)ncn1.
What is the InChIKey of 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is DAIFRAZHOFGHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-9-5-10(14-7-13-9)12-6-8-3-1-2-4-15-8/h5,7-8H,1-4,6H2,(H3,11,12,13,14).
What are the key properties of 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80852498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).