2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide

C20H21N5OS — CID 139350275

IUPAC2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncs3)c2)nc(C2CC2)n1
InChIInChI=1S/C20H21N5OS/c1-12(8-18-25-21-11-27-18)15-4-3-5-16(10-15)23-20(26)17-9-13(2)22-19(24-17)14-6-7-14/h3-5,9-12,14H,6-8H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyIZWJJSHSMFFWJA-GFCCVEGCSA-N
MW379.49 g/mol
LogP4.11
Rot. Bonds6

About 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide

2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide (PubChem CID 139350275) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide
PubChem CID139350275
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncs3)c2)nc(C2CC2)n1
InChIInChI=1S/C20H21N5OS/c1-12(8-18-25-21-11-27-18)15-4-3-5-16(10-15)23-20(26)17-9-13(2)22-19(24-17)14-6-7-14/h3-5,9-12,14H,6-8H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyIZWJJSHSMFFWJA-GFCCVEGCSA-N
XLogP4.11
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide (CID 139350275) is 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc([C@H](C)Cc3nncs3)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide?
The InChIKey is IZWJJSHSMFFWJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-12(8-18-25-21-11-27-18)15-4-3-5-16(10-15)23-20(26)17-9-13(2)22-19(24-17)14-6-7-14/h3-5,9-12,14H,6-8H2,1-2H3,(H,23,26)/t12-/m1/s1.
What are the key properties of 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide?
2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-[3-[(2R)-1-(1,3,4-thiadiazol-2-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 139350275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).