2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C11H15N5O — CID 91029720

IUPAC2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(N)nc2c1CN(C(=O)NC1CC1)C2
InChIInChI=1S/C11H15N5O/c1-6-8-4-16(11(17)14-7-2-3-7)5-9(8)15-10(12)13-6/h7H,2-5H2,1H3,(H,14,17)(H2,12,13,15)
InChIKeyBAQSZWGJECODHF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.55
Rot. Bonds1

About 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 91029720) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID91029720
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(N)nc2c1CN(C(=O)NC1CC1)C2
InChIInChI=1S/C11H15N5O/c1-6-8-4-16(11(17)14-7-2-3-7)5-9(8)15-10(12)13-6/h7H,2-5H2,1H3,(H,14,17)(H2,12,13,15)
InChIKeyBAQSZWGJECODHF-UHFFFAOYSA-N
XLogP0.55
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 91029720) is 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc(N)nc2c1CN(C(=O)NC1CC1)C2.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is BAQSZWGJECODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6-8-4-16(11(17)14-7-2-3-7)5-9(8)15-10(12)13-6/h7H,2-5H2,1H3,(H,14,17)(H2,12,13,15).
What are the key properties of 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 91029720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).