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

C14H15N5O — CID 90190210

IUPACN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc(NC)nc(N)n2)c1
InChIInChI=1S/C14H15N5O/c1-3-13(20)17-10-6-4-5-9(7-10)11-8-12(16-2)19-14(15)18-11/h3-8H,1H2,2H3,(H,17,20)(H3,15,16,18,19)
InChIKeyOIADGHWFACJUKG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.89
Rot. Bonds4

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

N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide (PubChem CID 90190210) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
PubChem CID90190210
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc(NC)nc(N)n2)c1
InChIInChI=1S/C14H15N5O/c1-3-13(20)17-10-6-4-5-9(7-10)11-8-12(16-2)19-14(15)18-11/h3-8H,1H2,2H3,(H,17,20)(H3,15,16,18,19)
InChIKeyOIADGHWFACJUKG-UHFFFAOYSA-N
XLogP1.89
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
CID 118642231
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2-oxo-2-phenylacetamide
CID 90189271
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentanamide
CID 155674141
N-[3-[3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421842
N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526691
N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526689
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846
N-[3-[2-amino-6-(ethylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
CID 90190020
N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 162527524

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide (CID 90190210) is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cc(NC)nc(N)n2)c1.
What is the InChIKey of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide?
The InChIKey is OIADGHWFACJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-13(20)17-10-6-4-5-9(7-10)11-8-12(16-2)19-14(15)18-11/h3-8H,1H2,2H3,(H,17,20)(H3,15,16,18,19).
What are the key properties of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide?
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide has a molecular weight of 269.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 90190210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).