N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide

C19H20N6O2 — CID 86269581

IUPACN-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1ncc2c(n1)N(C)C(=O)N(C1CC1)C2
InChIInChI=1S/C19H20N6O2/c1-3-16(26)21-14-6-4-5-7-15(14)22-18-20-10-12-11-25(13-8-9-13)19(27)24(2)17(12)23-18/h3-7,10,13H,1,8-9,11H2,2H3,(H,21,26)(H,20,22,23)
InChIKeyVJBXHTVRSWCNAY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.88
Rot. Bonds5

About N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide

N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide (PubChem CID 86269581) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide
PubChem CID86269581
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1ncc2c(n1)N(C)C(=O)N(C1CC1)C2
InChIInChI=1S/C19H20N6O2/c1-3-16(26)21-14-6-4-5-7-15(14)22-18-20-10-12-11-25(13-8-9-13)19(27)24(2)17(12)23-18/h3-7,10,13H,1,8-9,11H2,2H3,(H,21,26)(H,20,22,23)
InChIKeyVJBXHTVRSWCNAY-UHFFFAOYSA-N
XLogP2.88
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide 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 N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide (CID 86269581) is N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1Nc1ncc2c(n1)N(C)C(=O)N(C1CC1)C2.
What is the InChIKey of N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide?
The InChIKey is VJBXHTVRSWCNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-3-16(26)21-14-6-4-5-7-15(14)22-18-20-10-12-11-25(13-8-9-13)19(27)24(2)17(12)23-18/h3-7,10,13H,1,8-9,11H2,2H3,(H,21,26)(H,20,22,23).
What are the key properties of N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide?
N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide has a molecular weight of 364.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropyl-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 86269581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).