5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine

C10H15N5OS — CID 139398081

IUPAC5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine
SMILES[H]/N=C/c1c(N)ncnc1SC[C@@H]1CNCCO1
InChIInChI=1S/C10H15N5OS/c11-3-8-9(12)14-6-15-10(8)17-5-7-4-13-1-2-16-7/h3,6-7,11,13H,1-2,4-5H2,(H2,12,14,15)/b11-3+/t7-/m0/s1
InChIKeyZJGSHJNKKJHHRM-BIEGWXLLSA-N
MW253.33 g/mol
LogP0.14
Rot. Bonds4

About 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine

5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine (PubChem CID 139398081) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine
PubChem CID139398081
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine
SMILES[H]/N=C/c1c(N)ncnc1SC[C@@H]1CNCCO1
InChIInChI=1S/C10H15N5OS/c11-3-8-9(12)14-6-15-10(8)17-5-7-4-13-1-2-16-7/h3,6-7,11,13H,1-2,4-5H2,(H2,12,14,15)/b11-3+/t7-/m0/s1
InChIKeyZJGSHJNKKJHHRM-BIEGWXLLSA-N
XLogP0.14
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine (CID 139398081) is 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine is [H]/N=C/c1c(N)ncnc1SC[C@@H]1CNCCO1.
What is the InChIKey of 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine?
The InChIKey is ZJGSHJNKKJHHRM-BIEGWXLLSA-N. The full InChI is InChI=1S/C10H15N5OS/c11-3-8-9(12)14-6-15-10(8)17-5-7-4-13-1-2-16-7/h3,6-7,11,13H,1-2,4-5H2,(H2,12,14,15)/b11-3+/t7-/m0/s1.
What are the key properties of 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine?
5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine has a molecular weight of 253.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-6-[[(2S)-morpholin-2-yl]methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 139398081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).