N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide

C19H20N6O2 — CID 162672965

IUPACN-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)c1
InChIInChI=1S/C19H20N6O2/c1-3-19(26)24-15-6-4-5-14(9-15)17-10-18(21-13-20-17)23-16-11-22-25(12-16)7-8-27-2/h3-6,9-13H,1,7-8H2,2H3,(H,24,26)(H,20,21,23)
InChIKeyKVCVABXBMSCWDM-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.85
Rot. Bonds8

About N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide

N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide (PubChem CID 162672965) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
PubChem CID162672965
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)c1
InChIInChI=1S/C19H20N6O2/c1-3-19(26)24-15-6-4-5-14(9-15)17-10-18(21-13-20-17)23-16-11-22-25(12-16)7-8-27-2/h3-6,9-13H,1,7-8H2,2H3,(H,24,26)(H,20,21,23)
InChIKeyKVCVABXBMSCWDM-UHFFFAOYSA-N
XLogP2.85
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide (CID 162672965) is N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cc(Nc3cnn(CCOC)c3)ncn2)c1.
What is the InChIKey of N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
The InChIKey is KVCVABXBMSCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-3-19(26)24-15-6-4-5-14(9-15)17-10-18(21-13-20-17)23-16-11-22-25(12-16)7-8-27-2/h3-6,9-13H,1,7-8H2,2H3,(H,24,26)(H,20,21,23).
What are the key properties of N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide has a molecular weight of 364.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162672965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).