2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine

C11H14N6S — CID 83123179

IUPAC2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
SMILESC[C@H](N)c1ccc(Sc2nc(N)cc(N)n2)cn1
InChIInChI=1S/C11H14N6S/c1-6(12)8-3-2-7(5-15-8)18-11-16-9(13)4-10(14)17-11/h2-6H,12H2,1H3,(H4,13,14,16,17)/t6-/m0/s1
InChIKeyZWCYEEOAAWQRTN-LURJTMIESA-N
MW262.34 g/mol
LogP1.21
Rot. Bonds3

About 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine

2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine (PubChem CID 83123179) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
PubChem CID83123179
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
SMILESC[C@H](N)c1ccc(Sc2nc(N)cc(N)n2)cn1
InChIInChI=1S/C11H14N6S/c1-6(12)8-3-2-7(5-15-8)18-11-16-9(13)4-10(14)17-11/h2-6H,12H2,1H3,(H4,13,14,16,17)/t6-/m0/s1
InChIKeyZWCYEEOAAWQRTN-LURJTMIESA-N
XLogP1.21
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine (CID 83123179) is 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine is C[C@H](N)c1ccc(Sc2nc(N)cc(N)n2)cn1.
What is the InChIKey of 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
The InChIKey is ZWCYEEOAAWQRTN-LURJTMIESA-N. The full InChI is InChI=1S/C11H14N6S/c1-6(12)8-3-2-7(5-15-8)18-11-16-9(13)4-10(14)17-11/h2-6H,12H2,1H3,(H4,13,14,16,17)/t6-/m0/s1.
What are the key properties of 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine?
2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine has a molecular weight of 262.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 83123179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).