6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine

C16H24N6OS — CID 50948803

IUPAC6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2snnc2C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H24N6OS/c1-4-12-9-14(17-10-13-15(11(2)3)20-21-24-13)19-16(18-12)22-5-7-23-8-6-22/h9,11H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyQNNPBHBOBRTEDJ-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.46
Rot. Bonds6

About 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine

6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 50948803) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID50948803
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2snnc2C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H24N6OS/c1-4-12-9-14(17-10-13-15(11(2)3)20-21-24-13)19-16(18-12)22-5-7-23-8-6-22/h9,11H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyQNNPBHBOBRTEDJ-UHFFFAOYSA-N
XLogP2.46
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine (CID 50948803) is 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine is CCc1cc(NCc2snnc2C(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is QNNPBHBOBRTEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-4-12-9-14(17-10-13-15(11(2)3)20-21-24-13)19-16(18-12)22-5-7-23-8-6-22/h9,11H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine?
6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 348.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-morpholin-4-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50948803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).