N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C19H23N5O2 — CID 122181363

IUPACN-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1C
InChIInChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24)
InChIKeyPKRRWXXVUMOSGN-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.24
Rot. Bonds6

About N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 122181363) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
PubChem CID122181363
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1C
InChIInChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24)
InChIKeyPKRRWXXVUMOSGN-UHFFFAOYSA-N
XLogP3.24
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-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

Related Compounds

Prt-060318
CID 11493841
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 46
CID 5330232
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 47
CID 5330233

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 122181363) is N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1C.
What is the InChIKey of N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The InChIKey is PKRRWXXVUMOSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24).
What are the key properties of N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 353.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 122181363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).