2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine

C11H14N6S — CID 79239232

IUPAC2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCNc1cccc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C11H14N6S/c1-14-10-4-2-3-7(15-10)6-18-11-16-8(12)5-9(13)17-11/h2-5H,6H2,1H3,(H,14,15)(H4,12,13,16,17)
InChIKeyYRHBVUTZDVKOAN-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.37
Rot. Bonds4

About 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine

2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 79239232) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID79239232
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
SMILESCNc1cccc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C11H14N6S/c1-14-10-4-2-3-7(15-10)6-18-11-16-8(12)5-9(13)17-11/h2-5H,6H2,1H3,(H,14,15)(H4,12,13,16,17)
InChIKeyYRHBVUTZDVKOAN-UHFFFAOYSA-N
XLogP1.37
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine (CID 79239232) is 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine is CNc1cccc(CSc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is YRHBVUTZDVKOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-14-10-4-2-3-7(15-10)6-18-11-16-8(12)5-9(13)17-11/h2-5H,6H2,1H3,(H,14,15)(H4,12,13,16,17).
What are the key properties of 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine?
2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 262.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 79239232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).