4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine

C10H16N4S — CID 80595606

IUPAC4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCC1CCCCS1
InChIInChI=1S/C10H16N4S/c11-9-6-12-7-14-10(9)13-5-8-3-1-2-4-15-8/h6-8H,1-5,11H2,(H,12,13,14)
InChIKeyRSELBCYSRSCPOW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.76
Rot. Bonds3

About 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine

4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 80595606) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID80595606
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCC1CCCCS1
InChIInChI=1S/C10H16N4S/c11-9-6-12-7-14-10(9)13-5-8-3-1-2-4-15-8/h6-8H,1-5,11H2,(H,12,13,14)
InChIKeyRSELBCYSRSCPOW-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

5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
CID 80596479
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
6-ethoxy-4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595360
4-N-(thian-2-ylmethyl)quinazoline-4,7-diamine
CID 80596359
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 107416529
4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
CID 79917375
5-bromo-2-chloro-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612431
2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851915
4-methyl-2-N-(thian-2-ylmethyl)benzene-1,2-diamine
CID 80595363
N-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80586380

Frequently Asked Questions

What is the IUPAC name of 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine (CID 80595606) is 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine is Nc1cncnc1NCC1CCCCS1.
What is the InChIKey of 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is RSELBCYSRSCPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-9-6-12-7-14-10(9)13-5-8-3-1-2-4-15-8/h6-8H,1-5,11H2,(H,12,13,14).
What are the key properties of 4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine?
4-N-(thian-2-ylmethyl)pyrimidine-4,5-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-4,5-diamine is sourced from PubChem (CID 80595606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).