propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate

C19H19N3O2 — CID 175854618

IUPACpropan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate
SMILESCC(C)OC(=O)c1cncnc1-c1cn(C2CC2)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-12(2)24-19(23)15-9-20-11-21-18(15)16-10-22(13-7-8-13)17-6-4-3-5-14(16)17/h3-6,9-13H,7-8H2,1-2H3
InChIKeyWVOZMFFKGVFZAD-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.00
Rot. Bonds4

About propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate

propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate (PubChem CID 175854618) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate
PubChem CID175854618
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namepropan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate
SMILESCC(C)OC(=O)c1cncnc1-c1cn(C2CC2)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-12(2)24-19(23)15-9-20-11-21-18(15)16-10-22(13-7-8-13)17-6-4-3-5-14(16)17/h3-6,9-13H,7-8H2,1-2H3
InChIKeyWVOZMFFKGVFZAD-UHFFFAOYSA-N
XLogP4.00
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate (CID 175854618) is propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate is CC(C)OC(=O)c1cncnc1-c1cn(C2CC2)c2ccccc12.
What is the InChIKey of propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate?
The InChIKey is WVOZMFFKGVFZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)24-19(23)15-9-20-11-21-18(15)16-10-22(13-7-8-13)17-6-4-3-5-14(16)17/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate?
propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(1-cyclopropylindol-3-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 175854618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).