2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

C20H24N6OS — CID 144538418

IUPAC2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(NCc2nnc(C)s2)cc(OCC2C[C@H]2c2ccc(C)cn2)n1
InChIInChI=1S/C20H24N6OS/c1-4-17-23-18(22-10-20-26-25-13(3)28-20)8-19(24-17)27-11-14-7-15(14)16-6-5-12(2)9-21-16/h5-6,8-9,14-15H,4,7,10-11H2,1-3H3,(H,22,23,24)/t14?,15-/m1/s1
InChIKeyVTGYQFHHSHAOSE-YSSOQSIOSA-N
MW396.52 g/mol
LogP3.70
Rot. Bonds8

About 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 144538418) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID144538418
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(NCc2nnc(C)s2)cc(OCC2C[C@H]2c2ccc(C)cn2)n1
InChIInChI=1S/C20H24N6OS/c1-4-17-23-18(22-10-20-26-25-13(3)28-20)8-19(24-17)27-11-14-7-15(14)16-6-5-12(2)9-21-16/h5-6,8-9,14-15H,4,7,10-11H2,1-3H3,(H,22,23,24)/t14?,15-/m1/s1
InChIKeyVTGYQFHHSHAOSE-YSSOQSIOSA-N
XLogP3.70
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (CID 144538418) is 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is CCc1nc(NCc2nnc(C)s2)cc(OCC2C[C@H]2c2ccc(C)cn2)n1.
What is the InChIKey of 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is VTGYQFHHSHAOSE-YSSOQSIOSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-4-17-23-18(22-10-20-26-25-13(3)28-20)8-19(24-17)27-11-14-7-15(14)16-6-5-12(2)9-21-16/h5-6,8-9,14-15H,4,7,10-11H2,1-3H3,(H,22,23,24)/t14?,15-/m1/s1.
What are the key properties of 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 396.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 144538418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).