2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

C19H25N7OS — CID 123936385

IUPAC2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OCCC2CC2C=C2C=CN(C)N2)n1
InChIInChI=1S/C19H25N7OS/c1-12-21-17(20-11-19-24-23-13(2)28-19)10-18(22-12)27-7-5-14-8-15(14)9-16-4-6-26(3)25-16/h4,6,9-10,14-15,25H,5,7-8,11H2,1-3H3,(H,20,21,22)
InChIKeyODLQGACOUFOVCV-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.81
Rot. Bonds8

About 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine

2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 123936385) has the molecular formula C19H25N7OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID123936385
Molecular FormulaC19H25N7OS
Molecular Weight399.52 g/mol
Exact Mass399.18
IUPAC Name2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OCCC2CC2C=C2C=CN(C)N2)n1
InChIInChI=1S/C19H25N7OS/c1-12-21-17(20-11-19-24-23-13(2)28-19)10-18(22-12)27-7-5-14-8-15(14)9-16-4-6-26(3)25-16/h4,6,9-10,14-15,25H,5,7-8,11H2,1-3H3,(H,20,21,22)
InChIKeyODLQGACOUFOVCV-UHFFFAOYSA-N
XLogP2.81
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-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-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine (CID 123936385) is 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is Cc1nc(NCc2nnc(C)s2)cc(OCCC2CC2C=C2C=CN(C)N2)n1.
What is the InChIKey of 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is ODLQGACOUFOVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS/c1-12-21-17(20-11-19-24-23-13(2)28-19)10-18(22-12)27-7-5-14-8-15(14)9-16-4-6-26(3)25-16/h4,6,9-10,14-15,25H,5,7-8,11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine?
2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 399.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[2-[(2-methyl-1H-pyrazol-5-ylidene)methyl]cyclopropyl]ethoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 123936385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).