2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H21N3O — CID 145078607

IUPAC2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(N)=O)c2n1.c1ccc2c(c1)CCC2
InChIInChI=1S/C10H11N3O.C9H10/c1-6-5-7(2)13-4-3-8(9(11)14)10(13)12-6;1-2-5-9-7-3-6-8(9)4-1/h3-5H,1-2H3,(H2,11,14);1-2,4-5H,3,6-7H2
InChIKeyOCWJWVWTVMDNPI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.23
Rot. Bonds1

About 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 145078607) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID145078607
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(N)=O)c2n1.c1ccc2c(c1)CCC2
InChIInChI=1S/C10H11N3O.C9H10/c1-6-5-7(2)13-4-3-8(9(11)14)10(13)12-6;1-2-5-9-7-3-6-8(9)4-1/h3-5H,1-2H3,(H2,11,14);1-2,4-5H,3,6-7H2
InChIKeyOCWJWVWTVMDNPI-UHFFFAOYSA-N
XLogP3.23
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 145078607) is 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(N)=O)c2n1.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is OCWJWVWTVMDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C9H10/c1-6-5-7(2)13-4-3-8(9(11)14)10(13)12-6;1-2-5-9-7-3-6-8(9)4-1/h3-5H,1-2H3,(H2,11,14);1-2,4-5H,3,6-7H2.
What are the key properties of 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 145078607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).